data_mo_220716104821_a_1
_audit_creation_date               2022-07-26
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_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           'C48 H52 O8, C10 H2 N4, 2(C6 H6)'
_chemical_formula_sum              'C70 H66 N4 O8'
_chemical_formula_weight           1091.26
_chemical_absolute_configuration   unk
_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' 0.0033 0.0016 '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' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 '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        'orthorhombic'
_space_group_IT_number             43
_space_group_name_H-M_alt          'F d d 2'
_space_group_name_Hall             'F 2 -2d'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, z'
 'x+1/4, -y+1/4, z+1/4'
 '-x+1/4, y+1/4, z+1/4'
 'x, y+1/2, z+1/2'
 '-x, -y+1/2, z+1/2'
 'x+1/4, -y+3/4, z+3/4'
 '-x+1/4, y+3/4, z+3/4'
 'x+1/2, y, z+1/2'
 '-x+1/2, -y, z+1/2'
 'x+3/4, -y+1/4, z+3/4'
 '-x+3/4, y+1/4, z+3/4'
 'x+1/2, y+1/2, z'
 '-x+1/2, -y+1/2, z'
 'x+3/4, -y+3/4, z+1/4'
 '-x+3/4, y+3/4, z+1/4'

_cell_length_a                     26.4248(8)
_cell_length_b                     36.2735(16)
_cell_length_c                     11.9131(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       11418.9(7)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      9923
_cell_measurement_temperature      170(2)
_cell_measurement_theta_max        27.11
_cell_measurement_theta_min        2.52
_shelx_estimated_absorpt_T_max     0.989
_shelx_estimated_absorpt_T_min     0.974
_exptl_absorpt_coefficient_mu      0.083
_exptl_absorpt_correction_T_max    0.7455
_exptl_absorpt_correction_T_min    0.7121
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1326 before and 0.0542 after correction.
The Ratio of minimum to maximum transmission is 0.9552.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              yellow
_exptl_crystal_colour_primary      yellow
_exptl_crystal_density_diffrn      1.270
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               4624
_exptl_crystal_size_max            0.32
_exptl_crystal_size_mid            0.19
_exptl_crystal_size_min            0.13
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0415
_diffrn_reflns_av_unetI/netI       0.0292
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.999
_diffrn_reflns_limit_h_max         33
_diffrn_reflns_limit_h_min         -33
_diffrn_reflns_limit_k_max         46
_diffrn_reflns_limit_k_min         -46
_diffrn_reflns_limit_l_max         15
_diffrn_reflns_limit_l_min         -14
_diffrn_reflns_number              32095
_diffrn_reflns_point_group_measured_fraction_full  0.972
_diffrn_reflns_point_group_measured_fraction_max  0.966
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           27.110
_diffrn_reflns_theta_min           2.246
_diffrn_ambient_temperature        170.0
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.999
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     ?
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.844
_reflns_Friedel_fraction_full      0.942
_reflns_Friedel_fraction_max       0.930
_reflns_number_gt                  5660
_reflns_number_total               6116
_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 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           0.127
_refine_diff_density_min           -0.196
_refine_diff_density_rms           0.034
_refine_ls_abs_structure_details
;
 Flack x determined using 2389 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     -0.5(3)
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.045
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       374
_refine_ls_number_reflns           6116
_refine_ls_number_restraints       1
_refine_ls_R_factor_all            0.0372
_refine_ls_R_factor_gt             0.0323
_refine_ls_restrained_S_all        1.045
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0349P)²+6.2759P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0735
_refine_ls_wR_factor_ref           0.0764
_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 Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C8(H8A,H8B), C17(H17A,H17B), C23(H23A,H23B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C11(H11), C14(H14), C20(H20), C21(H21), C33(H33), C25(H25),
 C26(H26), C27(H27), C28(H28), C29(H29), C30(H30)
2.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C24(H24A,H24B,H24C)
;
_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
 O1 O 0.40572(5) 0.41869(4) 0.55385(14) 0.0314(3) Uani 1 1 d . . . . .
 O2 O 0.28115(5) 0.51464(4) 0.54046(12) 0.0268(3) Uani 1 1 d . . . . .
 O3 O 0.28997(5) 0.55336(4) 0.15159(12) 0.0277(3) Uani 1 1 d . . . . .
 O4 O 0.44465(5) 0.59893(4) 0.12264(13) 0.0300(3) Uani 1 1 d . . . . .
 C1 C 0.52567(7) 0.49408(5) 0.53492(15) 0.0187(4) Uani 1 1 d . . . . .
 C2 C 0.53521(7) 0.45554(5) 0.53503(17) 0.0226(4) Uani 1 1 d . . . . .
 H2 H 0.569153 0.446953 0.532708 0.027 Uiso 1 1 calc R . . . .
 C3 C 0.49652(7) 0.43058(5) 0.53839(17) 0.0249(4) Uani 1 1 d . . . . .
 H3 H 0.503831 0.404939 0.537833 0.030 Uiso 1 1 calc R . . . .
 C4 C 0.44568(7) 0.44263(5) 0.54271(17) 0.0223(4) Uani 1 1 d . . . . .
 C5 C 0.41530(8) 0.38039(5) 0.5758(2) 0.0301(4) Uani 1 1 d . . . . .
 H5A H 0.443629 0.377656 0.629492 0.036 Uiso 1 1 calc R . . . .
 H5B H 0.424295 0.367436 0.505378 0.036 Uiso 1 1 calc R . . . .
 C6 C 0.36755(8) 0.36461(6) 0.6244(2) 0.0319(5) Uani 1 1 d . . . . .
 H6A H 0.340521 0.365686 0.568162 0.048 Uiso 1 1 calc GR . . . .
 H6B H 0.357611 0.378938 0.690557 0.048 Uiso 1 1 calc GR . . . .
 H6C H 0.373358 0.338904 0.646204 0.048 Uiso 1 1 calc GR . . . .
 C7 C 0.43388(7) 0.47967(5) 0.53831(15) 0.0189(4) Uani 1 1 d . . . . .
 C8 C 0.37938(7) 0.49209(5) 0.54415(16) 0.0204(4) Uani 1 1 d . . . . .
 H8A H 0.376611 0.510980 0.603827 0.024 Uiso 1 1 calc R . . . .
 H8B H 0.358549 0.470759 0.567635 0.024 Uiso 1 1 calc R . . . .
 C9 C 0.35649(7) 0.50790(5) 0.43752(16) 0.0193(4) Uani 1 1 d . . . . .
 C10 C 0.30584(7) 0.51930(5) 0.43991(17) 0.0212(4) Uani 1 1 d . . . . .
 C11 C 0.28244(7) 0.53427(5) 0.34609(17) 0.0226(4) Uani 1 1 d . . . . .
 H11 H 0.247994 0.541709 0.349202 0.027 Uiso 1 1 calc R . . . .
 C12 C 0.31003(7) 0.53823(5) 0.24760(17) 0.0218(4) Uani 1 1 d . . . . .
 C13 C 0.36079(7) 0.52757(5) 0.24089(16) 0.0206(4) Uani 1 1 d . . . . .
 C14 C 0.38259(7) 0.51240(5) 0.33678(17) 0.0210(4) Uani 1 1 d . . . . .
 H14 H 0.416932 0.504743 0.333363 0.025 Uiso 1 1 calc R . . . .
 C15 C 0.23206(8) 0.53081(6) 0.5517(2) 0.0338(5) Uani 1 1 d . . . . .
 H15A H 0.209083 0.519869 0.496334 0.051 Uiso 1 1 calc GR . . . .
 H15B H 0.234368 0.557444 0.538885 0.051 Uiso 1 1 calc GR . . . .
 H15C H 0.219079 0.526188 0.627421 0.051 Uiso 1 1 calc GR . . . .
 C16 C 0.23876(8) 0.56595(7) 0.15633(19) 0.0333(5) Uani 1 1 d . . . . .
 H16A H 0.228696 0.575405 0.082579 0.050 Uiso 1 1 calc GR . . . .
 H16B H 0.235880 0.585647 0.212268 0.050 Uiso 1 1 calc GR . . . .
 H16C H 0.216596 0.545423 0.177400 0.050 Uiso 1 1 calc GR . . . .
 C17 C 0.38833(7) 0.53433(5) 0.13063(17) 0.0240(4) Uani 1 1 d . . . . .
 H17A H 0.377095 0.515376 0.076267 0.029 Uiso 1 1 calc R . . . .
 H17B H 0.377362 0.558563 0.101145 0.029 Uiso 1 1 calc R . . . .
 C18 C 0.44558(7) 0.53394(5) 0.13379(16) 0.0224(4) Uani 1 1 d . . . . .
 C19 C 0.47289(7) 0.50014(5) 0.13473(16) 0.0210(4) Uani 1 1 d . . . . .
 C20 C 0.55198(7) 0.53440(6) 0.13358(18) 0.0256(4) Uani 1 1 d . . . . .
 H20 H 0.587906 0.535062 0.135356 0.031 Uiso 1 1 calc R . . . .
 C21 C 0.52573(7) 0.56682(6) 0.12999(18) 0.0269(4) Uani 1 1 d . . . . .
 H21 H 0.543533 0.589565 0.128110 0.032 Uiso 1 1 calc R . . . .
 C22 C 0.47218(7) 0.56673(5) 0.12904(17) 0.0242(4) Uani 1 1 d . . . . .
 C23 C 0.47213(8) 0.63271(5) 0.1084(2) 0.0322(5) Uani 1 1 d . . . . .
 H23A H 0.493898 0.631158 0.040952 0.039 Uiso 1 1 calc R . . . .
 H23B H 0.494028 0.637165 0.174461 0.039 Uiso 1 1 calc R . . . .
 C24 C 0.43470(9) 0.66384(6) 0.0956(2) 0.0380(5) Uani 1 1 d . . . . .
 H24A H 0.415067 0.660286 0.026664 0.057 Uiso 1 1 calc GR . . . .
 H24B H 0.452935 0.687328 0.091552 0.057 Uiso 1 1 calc GR . . . .
 H24C H 0.411790 0.664125 0.160291 0.057 Uiso 1 1 calc GR . . . .
 N1 N 0.51055(9) 0.60932(5) 0.8245(2) 0.0462(5) Uani 1 1 d . . . . .
 N2 N 0.36344(8) 0.45394(6) 0.8387(2) 0.0464(5) Uani 1 1 d . . . . .
 C31 C 0.50809(8) 0.57792(6) 0.8283(2) 0.0324(5) Uani 1 1 d . . . . .
 C32 C 0.50394(8) 0.53823(5) 0.83048(18) 0.0277(4) Uani 1 1 d . . . . .
 C33 C 0.45640(8) 0.52205(6) 0.83071(19) 0.0297(4) Uani 1 1 d . . . . .
 H33 H 0.426840 0.536960 0.830383 0.036 Uiso 1 1 calc R . . . .
 C34 C 0.45233(7) 0.48378(6) 0.83144(18) 0.0281(4) Uani 1 1 d . . . . .
 C35 C 0.40278(8) 0.46697(6) 0.8345(2) 0.0334(5) Uani 1 1 d . . . . .
 C25 C 0.37245(10) 0.61003(7) 0.7067(2) 0.0430(6) Uani 1 1 d . . . . .
 H25 H 0.386381 0.624639 0.648175 0.052 Uiso 1 1 calc R . . . .
 C26 C 0.34303(9) 0.57980(7) 0.6809(2) 0.0388(5) Uani 1 1 d . . . . .
 H26 H 0.336593 0.573732 0.604650 0.047 Uiso 1 1 calc R . . . .
 C27 C 0.32279(9) 0.55825(6) 0.7659(2) 0.0352(5) Uani 1 1 d . . . . .
 H27 H 0.302854 0.537247 0.748165 0.042 Uiso 1 1 calc R . . . .
 C28 C 0.33189(9) 0.56759(6) 0.8769(2) 0.0359(5) Uani 1 1 d . . . . .
 H28 H 0.318045 0.552984 0.935505 0.043 Uiso 1 1 calc R . . . .
 C29 C 0.36104(9) 0.59807(7) 0.9025(2) 0.0398(5) Uani 1 1 d . . . . .
 H29 H 0.366858 0.604572 0.978693 0.048 Uiso 1 1 calc R . . . .
 C30 C 0.38173(10) 0.61911(7) 0.8173(2) 0.0415(6) Uani 1 1 d . . . . .
 H30 H 0.402311 0.639800 0.834848 0.050 Uiso 1 1 calc R . . . .


_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
 O1 C4 1.374(2) . ?
 O1 C5 1.436(2) . ?
 O2 C10 1.374(2) . ?
 O2 C15 1.430(2) . ?
 O3 C12 1.375(2) . ?
 O3 C16 1.429(2) . ?
 O4 C22 1.378(2) . ?
 O4 C23 1.435(2) . ?
 C1 C1 1.423(3) 2_665 ?
 C1 C2 1.420(2) . ?
 C1 C7 1.432(2) 2_665 ?
 C2 H2 0.9500 . ?
 C2 C3 1.366(3) . ?
 C3 H3 0.9500 . ?
 C3 C4 1.414(3) . ?
 C4 C7 1.380(2) . ?
 C5 H5A 0.9900 . ?
 C5 H5B 0.9900 . ?
 C5 C6 1.502(3) . ?
 C6 H6A 0.9800 . ?
 C6 H6B 0.9800 . ?
 C6 H6C 0.9800 . ?
 C7 C8 1.511(2) . ?
 C8 H8A 0.9900 . ?
 C8 H8B 0.9900 . ?
 C8 C9 1.519(3) . ?
 C9 C10 1.401(2) . ?
 C9 C14 1.394(3) . ?
 C10 C11 1.388(3) . ?
 C11 H11 0.9500 . ?
 C11 C12 1.389(3) . ?
 C12 C13 1.398(3) . ?
 C13 C14 1.393(3) . ?
 C13 C17 1.522(3) . ?
 C14 H14 0.9500 . ?
 C15 H15A 0.9800 . ?
 C15 H15B 0.9800 . ?
 C15 H15C 0.9800 . ?
 C16 H16A 0.9800 . ?
 C16 H16B 0.9800 . ?
 C16 H16C 0.9800 . ?
 C17 H17A 0.9900 . ?
 C17 H17B 0.9900 . ?
 C17 C18 1.513(2) . ?
 C18 C19 1.423(3) . ?
 C18 C22 1.383(3) . ?
 C19 C19 1.433(3) 2_665 ?
 C19 C20 1.415(3) 2_665 ?
 C20 H20 0.9500 . ?
 C20 C21 1.366(3) . ?
 C21 H21 0.9500 . ?
 C21 C22 1.415(3) . ?
 C23 H23A 0.9900 . ?
 C23 H23B 0.9900 . ?
 C23 C24 1.509(3) . ?
 C24 H24A 0.9800 . ?
 C24 H24B 0.9800 . ?
 C24 H24C 0.9800 . ?
 N1 C31 1.142(3) . ?
 N2 C35 1.143(3) . ?
 C31 C32 1.444(3) . ?
 C32 C33 1.386(3) . ?
 C32 C34 1.404(3) 2_665 ?
 C33 H33 0.9500 . ?
 C33 C34 1.393(3) . ?
 C34 C35 1.445(3) . ?
 C25 H25 0.9500 . ?
 C25 C26 1.379(4) . ?
 C25 C30 1.380(4) . ?
 C26 H26 0.9500 . ?
 C26 C27 1.386(3) . ?
 C27 H27 0.9500 . ?
 C27 C28 1.386(3) . ?
 C28 H28 0.9500 . ?
 C28 C29 1.382(3) . ?
 C29 H29 0.9500 . ?
 C29 C30 1.383(4) . ?
 C30 H30 0.9500 . ?

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
 C4 O1 C5 119.59(15) . . ?
 C10 O2 C15 117.49(15) . . ?
 C12 O3 C16 117.36(16) . . ?
 C22 O4 C23 117.60(15) . . ?
 C1 C1 C7 120.7(2) 2_665 2_665 ?
 C2 C1 C1 117.8(2) . 2_665 ?
 C2 C1 C7 121.48(16) . 2_665 ?
 C1 C2 H2 119.3 . . ?
 C3 C2 C1 121.30(17) . . ?
 C3 C2 H2 119.3 . . ?
 C2 C3 H3 119.8 . . ?
 C2 C3 C4 120.48(17) . . ?
 C4 C3 H3 119.8 . . ?
 O1 C4 C3 122.58(16) . . ?
 O1 C4 C7 116.45(16) . . ?
 C7 C4 C3 120.95(16) . . ?
 O1 C5 H5A 110.3 . . ?
 O1 C5 H5B 110.3 . . ?
 O1 C5 C6 106.91(16) . . ?
 H5A C5 H5B 108.6 . . ?
 C6 C5 H5A 110.3 . . ?
 C6 C5 H5B 110.3 . . ?
 C5 C6 H6A 109.5 . . ?
 C5 C6 H6B 109.5 . . ?
 C5 C6 H6C 109.5 . . ?
 H6A C6 H6B 109.5 . . ?
 H6A C6 H6C 109.5 . . ?
 H6B C6 H6C 109.5 . . ?
 C1 C7 C8 120.96(16) 2_665 . ?
 C4 C7 C1 118.68(16) . 2_665 ?
 C4 C7 C8 120.26(16) . . ?
 C7 C8 H8A 108.1 . . ?
 C7 C8 H8B 108.1 . . ?
 C7 C8 C9 116.98(16) . . ?
 H8A C8 H8B 107.3 . . ?
 C9 C8 H8A 108.1 . . ?
 C9 C8 H8B 108.1 . . ?
 C10 C9 C8 118.34(17) . . ?
 C14 C9 C8 124.55(16) . . ?
 C14 C9 C10 117.10(16) . . ?
 O2 C10 C9 115.78(16) . . ?
 O2 C10 C11 122.57(16) . . ?
 C11 C10 C9 121.65(17) . . ?
 C10 C11 H11 120.4 . . ?
 C10 C11 C12 119.13(16) . . ?
 C12 C11 H11 120.4 . . ?
 O3 C12 C11 122.80(16) . . ?
 O3 C12 C13 115.64(17) . . ?
 C11 C12 C13 121.56(17) . . ?
 C12 C13 C17 117.61(16) . . ?
 C14 C13 C12 117.33(17) . . ?
 C14 C13 C17 125.03(16) . . ?
 C9 C14 H14 118.4 . . ?
 C13 C14 C9 123.23(16) . . ?
 C13 C14 H14 118.4 . . ?
 O2 C15 H15A 109.5 . . ?
 O2 C15 H15B 109.5 . . ?
 O2 C15 H15C 109.5 . . ?
 H15A C15 H15B 109.5 . . ?
 H15A C15 H15C 109.5 . . ?
 H15B C15 H15C 109.5 . . ?
 O3 C16 H16A 109.5 . . ?
 O3 C16 H16B 109.5 . . ?
 O3 C16 H16C 109.5 . . ?
 H16A C16 H16B 109.5 . . ?
 H16A C16 H16C 109.5 . . ?
 H16B C16 H16C 109.5 . . ?
 C13 C17 H17A 108.0 . . ?
 C13 C17 H17B 108.0 . . ?
 H17A C17 H17B 107.3 . . ?
 C18 C17 C13 117.07(16) . . ?
 C18 C17 H17A 108.0 . . ?
 C18 C17 H17B 108.0 . . ?
 C19 C18 C17 121.01(17) . . ?
 C22 C18 C17 119.95(17) . . ?
 C22 C18 C19 118.93(16) . . ?
 C18 C19 C19 120.9(2) . 2_665 ?
 C20 C19 C18 121.84(16) 2_665 . ?
 C20 C19 C19 117.3(2) 2_665 2_665 ?
 C19 C20 H20 119.1 2_665 . ?
 C21 C20 C19 121.79(17) . 2_665 ?
 C21 C20 H20 119.1 . . ?
 C20 C21 H21 119.8 . . ?
 C20 C21 C22 120.40(18) . . ?
 C22 C21 H21 119.8 . . ?
 O4 C22 C18 117.57(16) . . ?
 O4 C22 C21 121.77(17) . . ?
 C18 C22 C21 120.66(18) . . ?
 O4 C23 H23A 110.0 . . ?
 O4 C23 H23B 110.0 . . ?
 O4 C23 C24 108.63(18) . . ?
 H23A C23 H23B 108.3 . . ?
 C24 C23 H23A 110.0 . . ?
 C24 C23 H23B 110.0 . . ?
 C23 C24 H24A 109.5 . . ?
 C23 C24 H24B 109.5 . . ?
 C23 C24 H24C 109.5 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 N1 C31 C32 178.3(3) . . ?
 C33 C32 C31 119.39(19) . . ?
 C33 C32 C34 120.33(18) . 2_665 ?
 C34 C32 C31 120.27(19) 2_665 . ?
 C32 C33 H33 120.3 . . ?
 C32 C33 C34 119.46(19) . . ?
 C34 C33 H33 120.3 . . ?
 C32 C34 C35 120.41(19) 2_665 . ?
 C33 C34 C32 120.20(18) . 2_665 ?
 C33 C34 C35 119.39(19) . . ?
 N2 C35 C34 178.8(3) . . ?
 C26 C25 H25 119.9 . . ?
 C26 C25 C30 120.2(2) . . ?
 C30 C25 H25 119.9 . . ?
 C25 C26 H26 119.9 . . ?
 C25 C26 C27 120.2(2) . . ?
 C27 C26 H26 119.9 . . ?
 C26 C27 H27 120.3 . . ?
 C28 C27 C26 119.5(2) . . ?
 C28 C27 H27 120.3 . . ?
 C27 C28 H28 119.9 . . ?
 C29 C28 C27 120.2(2) . . ?
 C29 C28 H28 119.9 . . ?
 C28 C29 H29 120.0 . . ?
 C28 C29 C30 120.0(2) . . ?
 C30 C29 H29 120.0 . . ?
 C25 C30 C29 119.9(2) . . ?
 C25 C30 H30 120.0 . . ?
 C29 C30 H30 120.0 . . ?

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
 O1 C4 C7 C1 175.54(17) . . . 2_665 ?
 O1 C4 C7 C8 -0.8(3) . . . . ?
 O2 C10 C11 C12 179.71(16) . . . . ?
 O3 C12 C13 C14 179.48(16) . . . . ?
 O3 C12 C13 C17 1.0(2) . . . . ?
 C1 C1 C2 C3 -1.9(2) 2_665 . . . ?
 C1 C2 C3 C4 -0.5(3) . . . . ?
 C1 C7 C8 C9 74.0(2) 2_665 . . . ?
 C2 C3 C4 O1 -175.48(19) . . . . ?
 C2 C3 C4 C7 3.1(3) . . . . ?
 C3 C4 C7 C1 -3.1(3) . . . 2_665 ?
 C3 C4 C7 C8 -179.41(18) . . . . ?
 C4 O1 C5 C6 159.73(18) . . . . ?
 C4 C7 C8 C9 -109.8(2) . . . . ?
 C5 O1 C4 C3 7.8(3) . . . . ?
 C5 O1 C4 C7 -170.77(18) . . . . ?
 C7 C1 C2 C3 176.14(19) 2_665 . . . ?
 C7 C8 C9 C10 179.32(16) . . . . ?
 C7 C8 C9 C14 -1.6(3) . . . . ?
 C8 C9 C10 O2 -0.6(2) . . . . ?
 C8 C9 C10 C11 179.49(17) . . . . ?
 C8 C9 C14 C13 -178.87(17) . . . . ?
 C9 C10 C11 C12 -0.4(3) . . . . ?
 C10 C9 C14 C13 0.3(3) . . . . ?
 C10 C11 C12 O3 -178.87(17) . . . . ?
 C10 C11 C12 C13 -0.1(3) . . . . ?
 C11 C12 C13 C14 0.7(3) . . . . ?
 C11 C12 C13 C17 -177.78(17) . . . . ?
 C12 C13 C14 C9 -0.7(3) . . . . ?
 C12 C13 C17 C18 161.70(17) . . . . ?
 C13 C17 C18 C19 79.6(2) . . . . ?
 C13 C17 C18 C22 -104.2(2) . . . . ?
 C14 C9 C10 O2 -179.77(16) . . . . ?
 C14 C9 C10 C11 0.3(3) . . . . ?
 C14 C13 C17 C18 -16.6(3) . . . . ?
 C15 O2 C10 C9 170.94(17) . . . . ?
 C15 O2 C10 C11 -9.1(3) . . . . ?
 C16 O3 C12 C11 1.2(3) . . . . ?
 C16 O3 C12 C13 -177.61(17) . . . . ?
 C17 C13 C14 C9 177.58(17) . . . . ?
 C17 C18 C19 C19 178.34(12) . . . 2_665 ?
 C17 C18 C19 C20 -0.5(3) . . . 2_665 ?
 C17 C18 C22 O4 0.6(3) . . . . ?
 C17 C18 C22 C21 -178.92(19) . . . . ?
 C19 C18 C22 O4 176.86(17) . . . . ?
 C19 C18 C22 C21 -2.7(3) . . . . ?
 C19 C20 C21 C22 1.0(3) 2_665 . . . ?
 C20 C21 C22 O4 -178.36(19) . . . . ?
 C20 C21 C22 C18 1.2(3) . . . . ?
 C22 O4 C23 C24 176.18(18) . . . . ?
 C22 C18 C19 C19 2.2(2) . . . 2_665 ?
 C22 C18 C19 C20 -176.64(18) . . . 2_665 ?
 C23 O4 C22 C18 -174.99(18) . . . . ?
 C23 O4 C22 C21 4.6(3) . . . . ?
 C31 C32 C33 C34 179.2(2) . . . . ?
 C32 C33 C34 C32 -0.8(3) . . . 2_665 ?
 C32 C33 C34 C35 178.5(2) . . . . ?
 C34 C32 C33 C34 -0.3(3) 2_665 . . . ?
 C25 C26 C27 C28 0.8(3) . . . . ?
 C26 C25 C30 C29 -0.7(4) . . . . ?
 C26 C27 C28 C29 -0.2(3) . . . . ?
 C27 C28 C29 C30 -0.8(4) . . . . ?
 C28 C29 C30 C25 1.2(4) . . . . ?
 C30 C25 C26 C27 -0.3(4) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
