data_mj24938_0m
_audit_creation_date               2024-09-26
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C28 H36 N O2 P'
_chemical_formula_sum              'C28 H36 N O2 P'
_chemical_formula_weight           449.55
_chemical_absolute_configuration   rmad
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'triclinic'
_space_group_IT_number             1
_space_group_name_H-M_alt          'P 1'
_space_group_name_Hall             'P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'

_cell_length_a                     9.8924(2)
_cell_length_b                     10.4608(2)
_cell_length_c                     12.6166(2)
_cell_angle_alpha                  76.9300(10)
_cell_angle_beta                   76.7930(10)
_cell_angle_gamma                  89.0140(10)
_cell_volume                       1237.32(4)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9964
_cell_measurement_temperature      170.00
_cell_measurement_theta_max        54.887
_cell_measurement_theta_min        3.777
_shelx_estimated_absorpt_T_max     0.963
_shelx_estimated_absorpt_T_min     0.882
_exptl_absorpt_coefficient_mu      0.756
_exptl_absorpt_correction_T_max    0.7508
_exptl_absorpt_correction_T_min    0.6333
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0831 before and 0.0593 after correction.
The Ratio of minimum to maximum transmission is 0.8435.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.207
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               484
_exptl_crystal_size_max            0.17
_exptl_crystal_size_mid            0.17
_exptl_crystal_size_min            0.05
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0352
_diffrn_reflns_av_unetI/netI       0.0451
_diffrn_reflns_Laue_measured_fraction_full  0.981
_diffrn_reflns_Laue_measured_fraction_max  0.982
_diffrn_reflns_limit_h_max         12
_diffrn_reflns_limit_h_min         -12
_diffrn_reflns_limit_k_max         11
_diffrn_reflns_limit_k_min         -12
_diffrn_reflns_limit_l_max         15
_diffrn_reflns_limit_l_min         -15
_diffrn_reflns_number              19858
_diffrn_reflns_point_group_measured_fraction_full  0.904
_diffrn_reflns_point_group_measured_fraction_max  0.897
_diffrn_reflns_theta_full          53.594
_diffrn_reflns_theta_max           54.898
_diffrn_reflns_theta_min           3.776
_diffrn_ambient_temperature        170.00
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.981
_diffrn_measured_fraction_theta_max  0.982
_diffrn_measurement_device_type    'Bruker D8 Venture'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             GaK\a
_diffrn_radiation_wavelength       1.34139
_diffrn_source                     ?
_diffrn_source_current             2.86
_diffrn_source_power               0.1995994
_diffrn_source_voltage             69.79
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.828
_reflns_Friedel_fraction_full      0.827
_reflns_Friedel_fraction_max       0.812
_reflns_number_gt                  8128
_reflns_number_total               8447
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'SAINT V8.40B (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           0.491
_refine_diff_density_min           -0.181
_refine_diff_density_rms           0.035
_refine_ls_abs_structure_details
;
 Flack x determined using 3544 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     0.044(8)
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.026
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       579
_refine_ls_number_reflns           8447
_refine_ls_number_restraints       3
_refine_ls_R_factor_all            0.0342
_refine_ls_R_factor_gt             0.0324
_refine_ls_restrained_S_all        1.026
_refine_ls_shift/su_max            0.002
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0375P)²+0.3042P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0831
_refine_ls_wR_factor_ref           0.0845
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C9(H9), C17(H17), C23(H23), C9A(H9A), C17A(H17A), C23A(H23A)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C18(H18A,H18B), C19(H19A,H19B), C20(H20A,H20B), C21(H21A,H21B),
 C22(H22A,H22B), C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B), C27(H27A,H27B),
  C28(H28A,H28B), C8A(H8AA,H8AB), C18A(H18C,H18D), C19A(H19C,H19D), C20A(H20C,
 H20D), C21A(H21C,H21D), C22A(H22D,H22C), C24A(H24C,H24D), C25A(H25C,H25D),
 C26A(H26D,H26C), C27A(H27C,H27D), C28A(H28D,H28C)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15),
 C2A(H2A), C3A(H3A), C5A(H5A), C11A(H11A), C12A(H12A), C13A(H13A), C14A(H14A),
 C15A(H15A)
2.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C16A(H16D,H16E,H16F)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 P1 P 0.32024(6) 0.20654(6) 0.68504(5) 0.02222(15) Uani 1 1 d . . . . .
 O1 O 0.22294(19) 0.53334(19) 0.45057(16) 0.0292(4) Uani 1 1 d . . . . .
 O2 O 0.5379(2) 0.3069(2) 0.18629(16) 0.0355(5) Uani 1 1 d . . . . .
 N1 N 0.0966(2) 0.3601(2) 0.57298(18) 0.0251(5) Uani 1 1 d . . . . .
 C1 C 0.3748(3) 0.2218(3) 0.5327(2) 0.0234(6) Uani 1 1 d . . . . .
 C2 C 0.4781(3) 0.1443(3) 0.4849(2) 0.0283(6) Uani 1 1 d . . . . .
 H2 H 0.511733 0.073651 0.532702 0.034 Uiso 1 1 calc R U . . .
 C3 C 0.5328(3) 0.1672(3) 0.3702(2) 0.0281(6) Uani 1 1 d . . . . .
 H3 H 0.601057 0.111685 0.340519 0.034 Uiso 1 1 calc R U . . .
 C4 C 0.4871(3) 0.2718(3) 0.2995(2) 0.0265(6) Uani 1 1 d . . . . .
 C5 C 0.3810(3) 0.3478(3) 0.3433(2) 0.0258(6) Uani 1 1 d . . . . .
 H5 H 0.347443 0.417662 0.294707 0.031 Uiso 1 1 calc R U . . .
 C6 C 0.3238(2) 0.3217(3) 0.4581(2) 0.0222(5) Uani 1 1 d . . . . .
 C7 C 0.2077(3) 0.4019(3) 0.4994(2) 0.0218(5) Uani 1 1 d . . . . .
 C8 C 0.1068(3) 0.5931(3) 0.5123(2) 0.0285(6) Uani 1 1 d . . . . .
 H8A H 0.059458 0.653038 0.460719 0.034 Uiso 1 1 calc R U . . .
 H8B H 0.138144 0.643011 0.560759 0.034 Uiso 1 1 calc R U . . .
 C9 C 0.0096(3) 0.4758(3) 0.5829(2) 0.0246(6) Uani 1 1 d . . . . .
 H9 H -0.069110 0.470304 0.546348 0.030 Uiso 1 1 calc R U . . .
 C10 C -0.0499(3) 0.4844(3) 0.7022(2) 0.0238(5) Uani 1 1 d . . . . .
 C11 C -0.1766(3) 0.5426(3) 0.7290(2) 0.0314(6) Uani 1 1 d . . . . .
 H11 H -0.225168 0.575348 0.672196 0.038 Uiso 1 1 calc R U . . .
 C12 C -0.2330(3) 0.5537(3) 0.8377(3) 0.0345(7) Uani 1 1 d . . . . .
 H12 H -0.319633 0.594054 0.854721 0.041 Uiso 1 1 calc R U . . .
 C13 C -0.1638(3) 0.5063(3) 0.9211(2) 0.0329(6) Uani 1 1 d . . . . .
 H13 H -0.202202 0.514084 0.995434 0.039 Uiso 1 1 calc R U . . .
 C14 C -0.0376(3) 0.4471(3) 0.8955(2) 0.0328(7) Uani 1 1 d . . . . .
 H14 H 0.009952 0.413359 0.952824 0.039 Uiso 1 1 calc R U . . .
 C15 C 0.0194(3) 0.4369(3) 0.7868(2) 0.0299(6) Uani 1 1 d . . . . .
 H15 H 0.106446 0.397221 0.769932 0.036 Uiso 1 1 calc R U . . .
 C16 C 0.6497(3) 0.2319(4) 0.1404(3) 0.0401(8) Uani 1 1 d . . . . .
 H16A H 0.677346 0.264988 0.059096 0.060 Uiso 1 1 calc R U . . .
 H16B H 0.619126 0.139360 0.157479 0.060 Uiso 1 1 calc R U . . .
 H16C H 0.729025 0.240012 0.173131 0.060 Uiso 1 1 calc R U . . .
 C17 C 0.4797(3) 0.1427(3) 0.7309(2) 0.0223(5) Uani 1 1 d . . . . .
 H17 H 0.502944 0.057574 0.708833 0.027 Uiso 1 1 calc R U . . .
 C18 C 0.4507(3) 0.1208(3) 0.8587(2) 0.0286(6) Uani 1 1 d . . . . .
 H18A H 0.414379 0.202192 0.880588 0.034 Uiso 1 1 calc R U . . .
 H18B H 0.378154 0.050260 0.893087 0.034 Uiso 1 1 calc R U . . .
 C19 C 0.5802(3) 0.0834(3) 0.9043(2) 0.0330(6) Uani 1 1 d . . . . .
 H19A H 0.557195 0.075933 0.986111 0.040 Uiso 1 1 calc R U . . .
 H19B H 0.610560 -0.003234 0.890474 0.040 Uiso 1 1 calc R U . . .
 C20 C 0.6979(3) 0.1851(3) 0.8492(2) 0.0314(6) Uani 1 1 d . . . . .
 H20A H 0.781595 0.157151 0.877790 0.038 Uiso 1 1 calc R U . . .
 H20B H 0.670801 0.270462 0.867603 0.038 Uiso 1 1 calc R U . . .
 C21 C 0.7304(3) 0.2000(3) 0.7228(2) 0.0314(6) Uani 1 1 d . . . . .
 H21A H 0.761068 0.115339 0.704690 0.038 Uiso 1 1 calc R U . . .
 H21B H 0.807114 0.266251 0.686954 0.038 Uiso 1 1 calc R U . . .
 C22 C 0.6025(3) 0.2426(3) 0.6768(2) 0.0283(6) Uani 1 1 d . . . . .
 H22A H 0.625830 0.251272 0.594856 0.034 Uiso 1 1 calc R U . . .
 H22B H 0.575091 0.329559 0.691445 0.034 Uiso 1 1 calc R U . . .
 C23 C 0.1920(3) 0.0657(3) 0.7248(2) 0.0325(7) Uani 1 1 d . . . . .
 H23 H 0.129009 0.088925 0.672128 0.039 Uiso 1 1 calc R U . . .
 C24 C 0.0978(3) 0.0550(3) 0.8409(3) 0.0332(7) Uani 1 1 d . . . . .
 H24A H 0.054400 0.140375 0.844658 0.040 Uiso 1 1 calc R U . . .
 H24B H 0.154621 0.035603 0.897466 0.040 Uiso 1 1 calc R U . . .
 C25 C -0.0163(4) -0.0523(4) 0.8690(3) 0.0475(8) Uani 1 1 d . . . . .
 H25A H -0.068925 -0.061421 0.947274 0.057 Uiso 1 1 calc R U . . .
 H25B H -0.081812 -0.026259 0.819750 0.057 Uiso 1 1 calc R U . . .
 C26 C 0.0424(4) -0.1810(4) 0.8544(4) 0.0564(10) Uani 1 1 d . . . . .
 H26A H -0.034289 -0.247121 0.870022 0.068 Uiso 1 1 calc R U . . .
 H26B H 0.101139 -0.211176 0.908428 0.068 Uiso 1 1 calc R U . . .
 C27 C 0.1296(4) -0.1697(4) 0.7351(3) 0.0517(9) Uani 1 1 d . . . . .
 H27A H 0.069911 -0.144679 0.681060 0.062 Uiso 1 1 calc R U . . .
 H27B H 0.169181 -0.255623 0.727571 0.062 Uiso 1 1 calc R U . . .
 C28 C 0.2476(3) -0.0657(3) 0.7092(3) 0.0419(8) Uani 1 1 d . . . . .
 H28A H 0.311586 -0.094969 0.759098 0.050 Uiso 1 1 calc R U . . .
 H28B H 0.300938 -0.056469 0.631048 0.050 Uiso 1 1 calc R U . . .
 P1A P 0.68081(6) 0.77790(6) 0.31856(5) 0.02176(15) Uani 1 1 d . . . . .
 O1A O 0.7804(2) 0.9946(2) 0.54582(18) 0.0349(5) Uani 1 1 d . . . . .
 O2A O 0.4360(2) 0.6669(2) 0.81671(16) 0.0358(5) Uani 1 1 d . . . . .
 N1A N 0.8949(2) 0.8646(2) 0.43648(19) 0.0265(5) Uani 1 1 d . . . . .
 C1A C 0.6055(3) 0.7373(3) 0.4706(2) 0.0231(6) Uani 1 1 d . . . . .
 C2A C 0.4942(3) 0.6470(3) 0.5216(2) 0.0275(6) Uani 1 1 d . . . . .
 H2A H 0.456634 0.603438 0.475840 0.033 Uiso 1 1 calc R U . . .
 C3A C 0.4354(3) 0.6177(3) 0.6363(2) 0.0297(6) Uani 1 1 d . . . . .
 H3A H 0.362436 0.552869 0.667964 0.036 Uiso 1 1 calc R U . . .
 C4A C 0.4853(3) 0.6849(3) 0.7034(2) 0.0282(6) Uani 1 1 d . . . . .
 C5A C 0.5941(3) 0.7777(3) 0.6559(2) 0.0262(6) Uani 1 1 d . . . . .
 H5A H 0.626217 0.825714 0.701396 0.031 Uiso 1 1 calc R U . . .
 C6A C 0.6562(3) 0.8007(3) 0.5422(2) 0.0218(5) Uani 1 1 d . . . . .
 C7A C 0.7843(3) 0.8864(3) 0.5021(2) 0.0225(5) Uani 1 1 d . . . . .
 C8A C 0.9160(3) 1.0594(3) 0.5002(3) 0.0352(7) Uani 1 1 d . . . . .
 H8AA H 0.962821 1.064582 0.560655 0.042 Uiso 1 1 calc R U . . .
 H8AB H 0.908342 1.149320 0.456144 0.042 Uiso 1 1 calc R U . . .
 C9A C 0.9964(3) 0.9727(3) 0.4248(2) 0.0280(6) Uani 1 1 d . . . . .
 H9A H 1.076622 0.935179 0.455933 0.034 Uiso 1 1 calc R U . . .
 C10A C 1.0506(3) 1.0456(3) 0.3044(2) 0.0266(6) Uani 1 1 d . . . . .
 C11A C 1.1813(3) 1.1085(3) 0.2710(3) 0.0331(7) Uani 1 1 d . . . . .
 H11A H 1.236447 1.104970 0.324081 0.040 Uiso 1 1 calc R U . . .
 C12A C 1.2319(3) 1.1759(3) 0.1617(3) 0.0381(7) Uani 1 1 d . . . . .
 H12A H 1.321376 1.218231 0.140074 0.046 Uiso 1 1 calc R U . . .
 C13A C 1.1524(3) 1.1820(3) 0.0833(3) 0.0369(7) Uani 1 1 d . . . . .
 H13A H 1.187235 1.228146 0.008080 0.044 Uiso 1 1 calc R U . . .
 C14A C 1.0219(3) 1.1202(3) 0.1157(3) 0.0350(7) Uani 1 1 d . . . . .
 H14A H 0.966843 1.124598 0.062416 0.042 Uiso 1 1 calc R U . . .
 C15A C 0.9712(3) 1.0521(3) 0.2249(2) 0.0295(6) Uani 1 1 d . . . . .
 H15A H 0.881920 1.009476 0.246099 0.035 Uiso 1 1 calc R U . . .
 C16A C 0.3434(4) 0.5553(4) 0.8723(3) 0.0503(9) Uani 1 1 d . . . . .
 H16D H 0.255707 0.567692 0.848210 0.075 Uiso 1 1 calc R U . . .
 H16E H 0.325171 0.546267 0.953413 0.075 Uiso 1 1 calc R U . . .
 H16F H 0.386109 0.475721 0.853320 0.075 Uiso 1 1 calc R U . . .
 C17A C 0.5363(3) 0.7320(3) 0.2607(2) 0.0238(5) Uani 1 1 d . . . . .
 H17A H 0.505157 0.638693 0.296990 0.029 Uiso 1 1 calc R U . . .
 C18A C 0.5896(3) 0.7458(3) 0.1335(2) 0.0318(6) Uani 1 1 d . . . . .
 H18C H 0.627865 0.836273 0.098507 0.038 Uiso 1 1 calc R U . . .
 H18D H 0.665726 0.684570 0.119964 0.038 Uiso 1 1 calc R U . . .
 C19A C 0.4740(3) 0.7165(4) 0.0786(3) 0.0407(8) Uani 1 1 d . . . . .
 H19C H 0.510876 0.731554 -0.003196 0.049 Uiso 1 1 calc R U . . .
 H19D H 0.443005 0.623066 0.107325 0.049 Uiso 1 1 calc R U . . .
 C20A C 0.3510(3) 0.8028(4) 0.1026(3) 0.0394(8) Uani 1 1 d . . . . .
 H20C H 0.275640 0.777429 0.070717 0.047 Uiso 1 1 calc R U . . .
 H20D H 0.379309 0.895586 0.066127 0.047 Uiso 1 1 calc R U . . .
 C21A C 0.2975(3) 0.7896(3) 0.2276(3) 0.0308(6) Uani 1 1 d . . . . .
 H21C H 0.260336 0.698850 0.262880 0.037 Uiso 1 1 calc R U . . .
 H21D H 0.220575 0.850113 0.240727 0.037 Uiso 1 1 calc R U . . .
 C22A C 0.4132(3) 0.8212(3) 0.2822(3) 0.0295(6) Uani 1 1 d . . . . .
 H22D H 0.445281 0.914123 0.251307 0.035 Uiso 1 1 calc R U . . .
 H22C H 0.375925 0.809038 0.363746 0.035 Uiso 1 1 calc R U . . .
 C23A C 0.8039(3) 0.6400(3) 0.3111(2) 0.0245(5) Uani 1 1 d . . . . .
 H23A H 0.849134 0.633988 0.375264 0.029 Uiso 1 1 calc R U . . .
 C24A C 0.9228(3) 0.6697(3) 0.2060(3) 0.0328(6) Uani 1 1 d . . . . .
 H24C H 0.884303 0.678607 0.138912 0.039 Uiso 1 1 calc R U . . .
 H24D H 0.970382 0.754110 0.200882 0.039 Uiso 1 1 calc R U . . .
 C25A C 1.0278(3) 0.5603(3) 0.2086(3) 0.0413(8) Uani 1 1 d . . . . .
 H25C H 1.099404 0.578894 0.137459 0.050 Uiso 1 1 calc R U . . .
 H25D H 1.074914 0.559290 0.270108 0.050 Uiso 1 1 calc R U . . .
 C26A C 0.9589(3) 0.4260(3) 0.2253(3) 0.0403(7) Uani 1 1 d . . . . .
 H26D H 0.920160 0.423612 0.160006 0.048 Uiso 1 1 calc R U . . .
 H26C H 1.029130 0.357707 0.230700 0.048 Uiso 1 1 calc R U . . .
 C27A C 0.8435(3) 0.3971(3) 0.3309(3) 0.0343(7) Uani 1 1 d . . . . .
 H27C H 0.883762 0.391232 0.396703 0.041 Uiso 1 1 calc R U . . .
 H27D H 0.797337 0.311210 0.338324 0.041 Uiso 1 1 calc R U . . .
 C28A C 0.7357(3) 0.5038(3) 0.3287(2) 0.0273(6) Uani 1 1 d . . . . .
 H28D H 0.664715 0.484562 0.400190 0.033 Uiso 1 1 calc R U . . .
 H28C H 0.688383 0.503460 0.267574 0.033 Uiso 1 1 calc R U . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 P1 C1 1.845(3) . ?
 P1 C17 1.864(3) . ?
 P1 C23 1.863(3) . ?
 O1 C7 1.369(3) . ?
 O1 C8 1.450(3) . ?
 O2 C4 1.367(3) . ?
 O2 C16 1.435(4) . ?
 N1 C7 1.276(3) . ?
 N1 C9 1.485(3) . ?
 C1 C2 1.405(4) . ?
 C1 C6 1.410(4) . ?
 C2 H2 0.9500 . ?
 C2 C3 1.391(4) . ?
 C3 H3 0.9500 . ?
 C3 C4 1.387(4) . ?
 C4 C5 1.394(4) . ?
 C5 H5 0.9500 . ?
 C5 C6 1.394(4) . ?
 C6 C7 1.478(4) . ?
 C8 H8A 0.9900 . ?
 C8 H8B 0.9900 . ?
 C8 C9 1.542(4) . ?
 C9 H9 1.0000 . ?
 C9 C10 1.508(4) . ?
 C10 C11 1.389(4) . ?
 C10 C15 1.393(4) . ?
 C11 H11 0.9500 . ?
 C11 C12 1.387(4) . ?
 C12 H12 0.9500 . ?
 C12 C13 1.380(4) . ?
 C13 H13 0.9500 . ?
 C13 C14 1.387(4) . ?
 C14 H14 0.9500 . ?
 C14 C15 1.386(4) . ?
 C15 H15 0.9500 . ?
 C16 H16A 0.9800 . ?
 C16 H16B 0.9800 . ?
 C16 H16C 0.9800 . ?
 C17 H17 1.0000 . ?
 C17 C18 1.536(3) . ?
 C17 C22 1.541(3) . ?
 C18 H18A 0.9900 . ?
 C18 H18B 0.9900 . ?
 C18 C19 1.530(4) . ?
 C19 H19A 0.9900 . ?
 C19 H19B 0.9900 . ?
 C19 C20 1.520(4) . ?
 C20 H20A 0.9900 . ?
 C20 H20B 0.9900 . ?
 C20 C21 1.525(4) . ?
 C21 H21A 0.9900 . ?
 C21 H21B 0.9900 . ?
 C21 C22 1.528(4) . ?
 C22 H22A 0.9900 . ?
 C22 H22B 0.9900 . ?
 C23 H23 1.0000 . ?
 C23 C24 1.527(4) . ?
 C23 C28 1.509(5) . ?
 C24 H24A 0.9900 . ?
 C24 H24B 0.9900 . ?
 C24 C25 1.530(4) . ?
 C25 H25A 0.9900 . ?
 C25 H25B 0.9900 . ?
 C25 C26 1.491(6) . ?
 C26 H26A 0.9900 . ?
 C26 H26B 0.9900 . ?
 C26 C27 1.534(5) . ?
 C27 H27A 0.9900 . ?
 C27 H27B 0.9900 . ?
 C27 C28 1.536(5) . ?
 C28 H28A 0.9900 . ?
 C28 H28B 0.9900 . ?
 P1A C1A 1.846(3) . ?
 P1A C17A 1.862(3) . ?
 P1A C23A 1.877(3) . ?
 O1A C7A 1.363(3) . ?
 O1A C8A 1.447(3) . ?
 O2A C4A 1.372(3) . ?
 O2A C16A 1.438(4) . ?
 N1A C7A 1.264(4) . ?
 N1A C9A 1.485(3) . ?
 C1A C2A 1.399(4) . ?
 C1A C6A 1.413(4) . ?
 C2A H2A 0.9500 . ?
 C2A C3A 1.395(4) . ?
 C3A H3A 0.9500 . ?
 C3A C4A 1.388(4) . ?
 C4A C5A 1.392(4) . ?
 C5A H5A 0.9500 . ?
 C5A C6A 1.392(4) . ?
 C6A C7A 1.485(4) . ?
 C8A H8AA 0.9900 . ?
 C8A H8AB 0.9900 . ?
 C8A C9A 1.543(4) . ?
 C9A H9A 1.0000 . ?
 C9A C10A 1.515(4) . ?
 C10A C11A 1.392(4) . ?
 C10A C15A 1.397(4) . ?
 C11A H11A 0.9500 . ?
 C11A C12A 1.381(5) . ?
 C12A H12A 0.9500 . ?
 C12A C13A 1.387(5) . ?
 C13A H13A 0.9500 . ?
 C13A C14A 1.386(4) . ?
 C14A H14A 0.9500 . ?
 C14A C15A 1.382(4) . ?
 C15A H15A 0.9500 . ?
 C16A H16D 0.9800 . ?
 C16A H16E 0.9800 . ?
 C16A H16F 0.9800 . ?
 C17A H17A 1.0000 . ?
 C17A C18A 1.546(4) . ?
 C17A C22A 1.533(4) . ?
 C18A H18C 0.9900 . ?
 C18A H18D 0.9900 . ?
 C18A C19A 1.533(4) . ?
 C19A H19C 0.9900 . ?
 C19A H19D 0.9900 . ?
 C19A C20A 1.519(5) . ?
 C20A H20C 0.9900 . ?
 C20A H20D 0.9900 . ?
 C20A C21A 1.520(4) . ?
 C21A H21C 0.9900 . ?
 C21A H21D 0.9900 . ?
 C21A C22A 1.540(4) . ?
 C22A H22D 0.9900 . ?
 C22A H22C 0.9900 . ?
 C23A H23A 1.0000 . ?
 C23A C24A 1.533(4) . ?
 C23A C28A 1.535(4) . ?
 C24A H24C 0.9900 . ?
 C24A H24D 0.9900 . ?
 C24A C25A 1.533(4) . ?
 C25A H25C 0.9900 . ?
 C25A H25D 0.9900 . ?
 C25A C26A 1.522(5) . ?
 C26A H26D 0.9900 . ?
 C26A H26C 0.9900 . ?
 C26A C27A 1.518(5) . ?
 C27A H27C 0.9900 . ?
 C27A H27D 0.9900 . ?
 C27A C28A 1.530(4) . ?
 C28A H28D 0.9900 . ?
 C28A H28C 0.9900 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C1 P1 C17 101.40(12) . . ?
 C1 P1 C23 100.47(12) . . ?
 C23 P1 C17 106.88(13) . . ?
 C7 O1 C8 105.3(2) . . ?
 C4 O2 C16 116.4(2) . . ?
 C7 N1 C9 106.7(2) . . ?
 C2 C1 P1 122.3(2) . . ?
 C2 C1 C6 116.7(2) . . ?
 C6 C1 P1 120.7(2) . . ?
 C1 C2 H2 118.8 . . ?
 C3 C2 C1 122.4(3) . . ?
 C3 C2 H2 118.8 . . ?
 C2 C3 H3 120.3 . . ?
 C4 C3 C2 119.5(3) . . ?
 C4 C3 H3 120.3 . . ?
 O2 C4 C3 124.5(3) . . ?
 O2 C4 C5 115.8(3) . . ?
 C3 C4 C5 119.7(2) . . ?
 C4 C5 H5 119.8 . . ?
 C4 C5 C6 120.4(2) . . ?
 C6 C5 H5 119.8 . . ?
 C1 C6 C7 120.9(2) . . ?
 C5 C6 C1 121.1(2) . . ?
 C5 C6 C7 118.0(2) . . ?
 O1 C7 C6 115.2(2) . . ?
 N1 C7 O1 118.3(2) . . ?
 N1 C7 C6 126.5(2) . . ?
 O1 C8 H8A 110.9 . . ?
 O1 C8 H8B 110.9 . . ?
 O1 C8 C9 104.2(2) . . ?
 H8A C8 H8B 108.9 . . ?
 C9 C8 H8A 110.9 . . ?
 C9 C8 H8B 110.9 . . ?
 N1 C9 C8 103.7(2) . . ?
 N1 C9 H9 108.4 . . ?
 N1 C9 C10 113.4(2) . . ?
 C8 C9 H9 108.4 . . ?
 C10 C9 C8 114.3(2) . . ?
 C10 C9 H9 108.4 . . ?
 C11 C10 C9 119.5(2) . . ?
 C11 C10 C15 118.6(3) . . ?
 C15 C10 C9 121.9(2) . . ?
 C10 C11 H11 119.6 . . ?
 C12 C11 C10 120.9(3) . . ?
 C12 C11 H11 119.6 . . ?
 C11 C12 H12 119.9 . . ?
 C13 C12 C11 120.2(3) . . ?
 C13 C12 H12 119.9 . . ?
 C12 C13 H13 120.2 . . ?
 C12 C13 C14 119.6(3) . . ?
 C14 C13 H13 120.2 . . ?
 C13 C14 H14 119.8 . . ?
 C15 C14 C13 120.3(3) . . ?
 C15 C14 H14 119.8 . . ?
 C10 C15 H15 119.7 . . ?
 C14 C15 C10 120.5(3) . . ?
 C14 C15 H15 119.7 . . ?
 O2 C16 H16A 109.5 . . ?
 O2 C16 H16B 109.5 . . ?
 O2 C16 H16C 109.5 . . ?
 H16A C16 H16B 109.5 . . ?
 H16A C16 H16C 109.5 . . ?
 H16B C16 H16C 109.5 . . ?
 P1 C17 H17 109.6 . . ?
 C18 C17 P1 108.35(17) . . ?
 C18 C17 H17 109.6 . . ?
 C18 C17 C22 109.5(2) . . ?
 C22 C17 P1 110.23(18) . . ?
 C22 C17 H17 109.6 . . ?
 C17 C18 H18A 109.0 . . ?
 C17 C18 H18B 109.0 . . ?
 H18A C18 H18B 107.8 . . ?
 C19 C18 C17 112.8(2) . . ?
 C19 C18 H18A 109.0 . . ?
 C19 C18 H18B 109.0 . . ?
 C18 C19 H19A 109.4 . . ?
 C18 C19 H19B 109.4 . . ?
 H19A C19 H19B 108.0 . . ?
 C20 C19 C18 111.2(2) . . ?
 C20 C19 H19A 109.4 . . ?
 C20 C19 H19B 109.4 . . ?
 C19 C20 H20A 109.8 . . ?
 C19 C20 H20B 109.8 . . ?
 C19 C20 C21 109.5(2) . . ?
 H20A C20 H20B 108.2 . . ?
 C21 C20 H20A 109.8 . . ?
 C21 C20 H20B 109.8 . . ?
 C20 C21 H21A 109.5 . . ?
 C20 C21 H21B 109.5 . . ?
 C20 C21 C22 110.8(2) . . ?
 H21A C21 H21B 108.1 . . ?
 C22 C21 H21A 109.5 . . ?
 C22 C21 H21B 109.5 . . ?
 C17 C22 H22A 109.3 . . ?
 C17 C22 H22B 109.3 . . ?
 C21 C22 C17 111.4(2) . . ?
 C21 C22 H22A 109.3 . . ?
 C21 C22 H22B 109.3 . . ?
 H22A C22 H22B 108.0 . . ?
 P1 C23 H23 104.9 . . ?
 C24 C23 P1 112.2(2) . . ?
 C24 C23 H23 104.9 . . ?
 C28 C23 P1 116.9(2) . . ?
 C28 C23 H23 104.9 . . ?
 C28 C23 C24 111.7(3) . . ?
 C23 C24 H24A 109.2 . . ?
 C23 C24 H24B 109.2 . . ?
 C23 C24 C25 112.2(3) . . ?
 H24A C24 H24B 107.9 . . ?
 C25 C24 H24A 109.2 . . ?
 C25 C24 H24B 109.2 . . ?
 C24 C25 H25A 109.3 . . ?
 C24 C25 H25B 109.3 . . ?
 H25A C25 H25B 108.0 . . ?
 C26 C25 C24 111.6(3) . . ?
 C26 C25 H25A 109.3 . . ?
 C26 C25 H25B 109.3 . . ?
 C25 C26 H26A 109.5 . . ?
 C25 C26 H26B 109.5 . . ?
 C25 C26 C27 110.9(3) . . ?
 H26A C26 H26B 108.0 . . ?
 C27 C26 H26A 109.5 . . ?
 C27 C26 H26B 109.5 . . ?
 C26 C27 H27A 109.7 . . ?
 C26 C27 H27B 109.7 . . ?
 C26 C27 C28 109.9(3) . . ?
 H27A C27 H27B 108.2 . . ?
 C28 C27 H27A 109.7 . . ?
 C28 C27 H27B 109.7 . . ?
 C23 C28 C27 111.4(3) . . ?
 C23 C28 H28A 109.3 . . ?
 C23 C28 H28B 109.3 . . ?
 C27 C28 H28A 109.3 . . ?
 C27 C28 H28B 109.3 . . ?
 H28A C28 H28B 108.0 . . ?
 C1A P1A C17A 102.69(12) . . ?
 C1A P1A C23A 98.83(12) . . ?
 C17A P1A C23A 104.57(12) . . ?
 C7A O1A C8A 105.8(2) . . ?
 C4A O2A C16A 117.1(2) . . ?
 C7A N1A C9A 107.0(2) . . ?
 C2A C1A P1A 123.2(2) . . ?
 C2A C1A C6A 116.1(2) . . ?
 C6A C1A P1A 120.7(2) . . ?
 C1A C2A H2A 118.3 . . ?
 C3A C2A C1A 123.4(2) . . ?
 C3A C2A H2A 118.3 . . ?
 C2A C3A H3A 120.6 . . ?
 C4A C3A C2A 118.8(3) . . ?
 C4A C3A H3A 120.6 . . ?
 O2A C4A C3A 124.8(3) . . ?
 O2A C4A C5A 115.4(2) . . ?
 C3A C4A C5A 119.8(2) . . ?
 C4A C5A H5A 119.7 . . ?
 C4A C5A C6A 120.5(2) . . ?
 C6A C5A H5A 119.7 . . ?
 C1A C6A C7A 121.8(2) . . ?
 C5A C6A C1A 121.3(2) . . ?
 C5A C6A C7A 116.7(2) . . ?
 O1A C7A C6A 115.0(2) . . ?
 N1A C7A O1A 118.8(2) . . ?
 N1A C7A C6A 126.1(2) . . ?
 O1A C8A H8AA 110.8 . . ?
 O1A C8A H8AB 110.8 . . ?
 O1A C8A C9A 104.6(2) . . ?
 H8AA C8A H8AB 108.9 . . ?
 C9A C8A H8AA 110.8 . . ?
 C9A C8A H8AB 110.8 . . ?
 N1A C9A C8A 103.7(2) . . ?
 N1A C9A H9A 108.9 . . ?
 N1A C9A C10A 112.7(2) . . ?
 C8A C9A H9A 108.9 . . ?
 C10A C9A C8A 113.7(2) . . ?
 C10A C9A H9A 108.9 . . ?
 C11A C10A C9A 120.1(2) . . ?
 C11A C10A C15A 118.6(3) . . ?
 C15A C10A C9A 121.3(2) . . ?
 C10A C11A H11A 119.6 . . ?
 C12A C11A C10A 120.8(3) . . ?
 C12A C11A H11A 119.6 . . ?
 C11A C12A H12A 119.9 . . ?
 C11A C12A C13A 120.2(3) . . ?
 C13A C12A H12A 119.9 . . ?
 C12A C13A H13A 120.2 . . ?
 C14A C13A C12A 119.5(3) . . ?
 C14A C13A H13A 120.2 . . ?
 C13A C14A H14A 119.8 . . ?
 C15A C14A C13A 120.4(3) . . ?
 C15A C14A H14A 119.8 . . ?
 C10A C15A H15A 119.8 . . ?
 C14A C15A C10A 120.4(3) . . ?
 C14A C15A H15A 119.8 . . ?
 O2A C16A H16D 109.5 . . ?
 O2A C16A H16E 109.5 . . ?
 O2A C16A H16F 109.5 . . ?
 H16D C16A H16E 109.5 . . ?
 H16D C16A H16F 109.5 . . ?
 H16E C16A H16F 109.5 . . ?
 P1A C17A H17A 109.3 . . ?
 C18A C17A P1A 108.77(17) . . ?
 C18A C17A H17A 109.3 . . ?
 C22A C17A P1A 110.79(18) . . ?
 C22A C17A H17A 109.3 . . ?
 C22A C17A C18A 109.4(2) . . ?
 C17A C18A H18C 109.2 . . ?
 C17A C18A H18D 109.2 . . ?
 H18C C18A H18D 107.9 . . ?
 C19A C18A C17A 111.8(2) . . ?
 C19A C18A H18C 109.2 . . ?
 C19A C18A H18D 109.2 . . ?
 C18A C19A H19C 109.4 . . ?
 C18A C19A H19D 109.4 . . ?
 H19C C19A H19D 108.0 . . ?
 C20A C19A C18A 111.3(3) . . ?
 C20A C19A H19C 109.4 . . ?
 C20A C19A H19D 109.4 . . ?
 C19A C20A H20C 109.4 . . ?
 C19A C20A H20D 109.4 . . ?
 C19A C20A C21A 111.0(2) . . ?
 H20C C20A H20D 108.0 . . ?
 C21A C20A H20C 109.4 . . ?
 C21A C20A H20D 109.4 . . ?
 C20A C21A H21C 109.3 . . ?
 C20A C21A H21D 109.3 . . ?
 C20A C21A C22A 111.4(2) . . ?
 H21C C21A H21D 108.0 . . ?
 C22A C21A H21C 109.3 . . ?
 C22A C21A H21D 109.3 . . ?
 C17A C22A C21A 110.9(2) . . ?
 C17A C22A H22D 109.5 . . ?
 C17A C22A H22C 109.5 . . ?
 C21A C22A H22D 109.5 . . ?
 C21A C22A H22C 109.5 . . ?
 H22D C22A H22C 108.0 . . ?
 P1A C23A H23A 105.5 . . ?
 C24A C23A P1A 112.8(2) . . ?
 C24A C23A H23A 105.5 . . ?
 C24A C23A C28A 111.3(2) . . ?
 C28A C23A P1A 115.34(18) . . ?
 C28A C23A H23A 105.5 . . ?
 C23A C24A H24C 109.4 . . ?
 C23A C24A H24D 109.4 . . ?
 H24C C24A H24D 108.0 . . ?
 C25A C24A C23A 111.1(3) . . ?
 C25A C24A H24C 109.4 . . ?
 C25A C24A H24D 109.4 . . ?
 C24A C25A H25C 109.2 . . ?
 C24A C25A H25D 109.2 . . ?
 H25C C25A H25D 107.9 . . ?
 C26A C25A C24A 112.0(2) . . ?
 C26A C25A H25C 109.2 . . ?
 C26A C25A H25D 109.2 . . ?
 C25A C26A H26D 109.5 . . ?
 C25A C26A H26C 109.5 . . ?
 H26D C26A H26C 108.1 . . ?
 C27A C26A C25A 110.7(3) . . ?
 C27A C26A H26D 109.5 . . ?
 C27A C26A H26C 109.5 . . ?
 C26A C27A H27C 109.3 . . ?
 C26A C27A H27D 109.3 . . ?
 C26A C27A C28A 111.4(3) . . ?
 H27C C27A H27D 108.0 . . ?
 C28A C27A H27C 109.3 . . ?
 C28A C27A H27D 109.3 . . ?
 C23A C28A H28D 109.4 . . ?
 C23A C28A H28C 109.4 . . ?
 C27A C28A C23A 111.2(2) . . ?
 C27A C28A H28D 109.4 . . ?
 C27A C28A H28C 109.4 . . ?
 H28D C28A H28C 108.0 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 P1 C1 C2 C3 -171.1(2) . . . . ?
 P1 C1 C6 C5 169.3(2) . . . . ?
 P1 C1 C6 C7 -10.7(3) . . . . ?
 P1 C17 C18 C19 -173.4(2) . . . . ?
 P1 C17 C22 C21 173.67(19) . . . . ?
 P1 C23 C24 C25 174.5(2) . . . . ?
 P1 C23 C28 C27 -174.9(2) . . . . ?
 O1 C8 C9 N1 12.5(3) . . . . ?
 O1 C8 C9 C10 136.6(2) . . . . ?
 O2 C4 C5 C6 -178.8(2) . . . . ?
 N1 C9 C10 C11 -150.0(2) . . . . ?
 N1 C9 C10 C15 30.9(3) . . . . ?
 C1 P1 C17 C18 -178.67(19) . . . . ?
 C1 P1 C17 C22 61.6(2) . . . . ?
 C1 P1 C23 C24 -163.2(2) . . . . ?
 C1 P1 C23 C28 65.8(3) . . . . ?
 C1 C2 C3 C4 1.4(4) . . . . ?
 C1 C6 C7 O1 137.8(2) . . . . ?
 C1 C6 C7 N1 -43.6(4) . . . . ?
 C2 C1 C6 C5 -4.7(4) . . . . ?
 C2 C1 C6 C7 175.3(2) . . . . ?
 C2 C3 C4 O2 177.0(3) . . . . ?
 C2 C3 C4 C5 -3.9(4) . . . . ?
 C3 C4 C5 C6 2.0(4) . . . . ?
 C4 C5 C6 C1 2.4(4) . . . . ?
 C4 C5 C6 C7 -177.6(2) . . . . ?
 C5 C6 C7 O1 -42.2(3) . . . . ?
 C5 C6 C7 N1 136.4(3) . . . . ?
 C6 C1 C2 C3 2.8(4) . . . . ?
 C7 O1 C8 C9 -12.1(3) . . . . ?
 C7 N1 C9 C8 -8.5(3) . . . . ?
 C7 N1 C9 C10 -133.1(2) . . . . ?
 C8 O1 C7 N1 7.7(3) . . . . ?
 C8 O1 C7 C6 -173.6(2) . . . . ?
 C8 C9 C10 C11 91.3(3) . . . . ?
 C8 C9 C10 C15 -87.8(3) . . . . ?
 C9 N1 C7 O1 0.9(3) . . . . ?
 C9 N1 C7 C6 -177.7(2) . . . . ?
 C9 C10 C11 C12 -179.0(3) . . . . ?
 C9 C10 C15 C14 179.5(3) . . . . ?
 C10 C11 C12 C13 -0.2(5) . . . . ?
 C11 C10 C15 C14 0.4(4) . . . . ?
 C11 C12 C13 C14 -0.2(5) . . . . ?
 C12 C13 C14 C15 0.7(5) . . . . ?
 C13 C14 C15 C10 -0.8(4) . . . . ?
 C15 C10 C11 C12 0.1(4) . . . . ?
 C16 O2 C4 C3 -2.5(4) . . . . ?
 C16 O2 C4 C5 178.4(2) . . . . ?
 C17 P1 C1 C2 26.2(3) . . . . ?
 C17 P1 C1 C6 -147.5(2) . . . . ?
 C17 P1 C23 C24 91.3(2) . . . . ?
 C17 P1 C23 C28 -39.6(3) . . . . ?
 C17 C18 C19 C20 55.6(3) . . . . ?
 C18 C17 C22 C21 54.6(3) . . . . ?
 C18 C19 C20 C21 -57.2(3) . . . . ?
 C19 C20 C21 C22 59.2(3) . . . . ?
 C20 C21 C22 C17 -58.8(3) . . . . ?
 C22 C17 C18 C19 -53.2(3) . . . . ?
 C23 P1 C1 C2 -83.6(2) . . . . ?
 C23 P1 C1 C6 102.8(2) . . . . ?
 C23 P1 C17 C18 -73.9(2) . . . . ?
 C23 P1 C17 C22 166.32(18) . . . . ?
 C23 C24 C25 C26 53.6(4) . . . . ?
 C24 C23 C28 C27 53.9(4) . . . . ?
 C24 C25 C26 C27 -56.7(4) . . . . ?
 C25 C26 C27 C28 58.2(4) . . . . ?
 C26 C27 C28 C23 -56.7(4) . . . . ?
 C28 C23 C24 C25 -51.9(4) . . . . ?
 P1A C1A C2A C3A -178.9(2) . . . . ?
 P1A C1A C6A C5A 175.5(2) . . . . ?
 P1A C1A C6A C7A -9.5(3) . . . . ?
 P1A C17A C18A C19A -177.0(2) . . . . ?
 P1A C17A C22A C21A 176.2(2) . . . . ?
 P1A C23A C24A C25A 174.77(19) . . . . ?
 P1A C23A C28A C27A -175.22(19) . . . . ?
 O1A C8A C9A N1A -0.2(3) . . . . ?
 O1A C8A C9A C10A 122.5(2) . . . . ?
 O2A C4A C5A C6A 177.5(2) . . . . ?
 N1A C9A C10A C11A -153.1(3) . . . . ?
 N1A C9A C10A C15A 27.3(4) . . . . ?
 C1A P1A C17A C18A -173.63(19) . . . . ?
 C1A P1A C17A C22A 66.1(2) . . . . ?
 C1A P1A C23A C24A -158.2(2) . . . . ?
 C1A P1A C23A C28A 72.3(2) . . . . ?
 C1A C2A C3A C4A 2.8(4) . . . . ?
 C1A C6A C7A O1A 142.6(2) . . . . ?
 C1A C6A C7A N1A -40.5(4) . . . . ?
 C2A C1A C6A C5A -2.6(4) . . . . ?
 C2A C1A C6A C7A 172.5(2) . . . . ?
 C2A C3A C4A O2A 179.2(3) . . . . ?
 C2A C3A C4A C5A -1.3(4) . . . . ?
 C3A C4A C5A C6A -2.0(4) . . . . ?
 C4A C5A C6A C1A 4.1(4) . . . . ?
 C4A C5A C6A C7A -171.2(2) . . . . ?
 C5A C6A C7A O1A -42.1(3) . . . . ?
 C5A C6A C7A N1A 134.8(3) . . . . ?
 C6A C1A C2A C3A -0.8(4) . . . . ?
 C7A O1A C8A C9A 0.1(3) . . . . ?
 C7A N1A C9A C8A 0.3(3) . . . . ?
 C7A N1A C9A C10A -123.0(3) . . . . ?
 C8A O1A C7A N1A 0.2(3) . . . . ?
 C8A O1A C7A C6A 177.3(2) . . . . ?
 C8A C9A C10A C11A 89.2(3) . . . . ?
 C8A C9A C10A C15A -90.4(3) . . . . ?
 C9A N1A C7A O1A -0.3(3) . . . . ?
 C9A N1A C7A C6A -177.1(2) . . . . ?
 C9A C10A C11A C12A -179.7(3) . . . . ?
 C9A C10A C15A C14A 179.4(3) . . . . ?
 C10A C11A C12A C13A 0.1(5) . . . . ?
 C11A C10A C15A C14A -0.3(4) . . . . ?
 C11A C12A C13A C14A 0.1(5) . . . . ?
 C12A C13A C14A C15A -0.4(5) . . . . ?
 C13A C14A C15A C10A 0.5(5) . . . . ?
 C15A C10A C11A C12A 0.0(4) . . . . ?
 C16A O2A C4A C3A 11.3(4) . . . . ?
 C16A O2A C4A C5A -168.2(3) . . . . ?
 C17A P1A C1A C2A 22.5(3) . . . . ?
 C17A P1A C1A C6A -155.4(2) . . . . ?
 C17A P1A C23A C24A 96.1(2) . . . . ?
 C17A P1A C23A C28A -33.4(2) . . . . ?
 C17A C18A C19A C20A 55.7(3) . . . . ?
 C18A C17A C22A C21A 56.3(3) . . . . ?
 C18A C19A C20A C21A -55.2(3) . . . . ?
 C19A C20A C21A C22A 56.2(3) . . . . ?
 C20A C21A C22A C17A -57.4(3) . . . . ?
 C22A C17A C18A C19A -55.9(3) . . . . ?
 C23A P1A C1A C2A -84.7(2) . . . . ?
 C23A P1A C1A C6A 97.4(2) . . . . ?
 C23A P1A C17A C18A -70.8(2) . . . . ?
 C23A P1A C17A C22A 168.87(19) . . . . ?
 C23A C24A C25A C26A 54.8(4) . . . . ?
 C24A C23A C28A C27A 54.5(3) . . . . ?
 C24A C25A C26A C27A -56.1(4) . . . . ?
 C25A C26A C27A C28A 56.5(3) . . . . ?
 C26A C27A C28A C23A -56.1(3) . . . . ?
 C28A C23A C24A C25A -53.7(3) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
