data_wky
_audit_creation_date               2023-12-05
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_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           'C21 H24 O5'
_chemical_formula_sum              'C21 H24 O5'
_chemical_formula_weight           356.40
_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' 0.0181 0.0091 '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'
 'O' 'O' 0.0492 0.0322 '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        'monoclinic'
_space_group_IT_number             15
_space_group_name_H-M_alt          'C 1 2/c 1'
_space_group_name_Hall             '-C 2yc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                     10.3413(4)
_cell_length_b                     17.8703(7)
_cell_length_c                     20.9013(9)
_cell_angle_alpha                  90
_cell_angle_beta                   100.077(2)
_cell_angle_gamma                  90
_cell_volume                       3803.0(3)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      8872
_cell_measurement_temperature      150.00
_cell_measurement_theta_max        74.784
_cell_measurement_theta_min        4.297
_shelx_estimated_absorpt_T_max     0.869
_shelx_estimated_absorpt_T_min     0.869
_exptl_absorpt_coefficient_mu      0.720
_exptl_absorpt_correction_T_max    0.0872
_exptl_absorpt_correction_T_min    0.0102
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1389 before and 0.0462 after correction.
The Ratio of minimum to maximum transmission is 0.1170.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'metallic light colourless'
_exptl_crystal_colour_lustre       metallic
_exptl_crystal_colour_modifier     light
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.245
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         plate
_exptl_crystal_F_000               1520
_exptl_crystal_size_max            0.2
_exptl_crystal_size_mid            0.2
_exptl_crystal_size_min            0.2
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0255
_diffrn_reflns_av_unetI/netI       0.0259
_diffrn_reflns_Laue_measured_fraction_full  0.996
_diffrn_reflns_Laue_measured_fraction_max  0.991
_diffrn_reflns_limit_h_max         12
_diffrn_reflns_limit_h_min         -11
_diffrn_reflns_limit_k_max         22
_diffrn_reflns_limit_k_min         -19
_diffrn_reflns_limit_l_max         25
_diffrn_reflns_limit_l_min         -26
_diffrn_reflns_number              14329
_diffrn_reflns_point_group_measured_fraction_full  0.996
_diffrn_reflns_point_group_measured_fraction_max  0.991
_diffrn_reflns_theta_full          67.679
_diffrn_reflns_theta_max           74.776
_diffrn_reflns_theta_min           4.297
_diffrn_ambient_temperature        150.00
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.996
_diffrn_measured_fraction_theta_max  0.991
_diffrn_measurement_device_type    'CCD area detector'
_diffrn_measurement_method         'phi and omega scans'
_diffrn_radiation_monochromator    graphite
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54178
_diffrn_source                     ?
_diffrn_source_current             1.0
_diffrn_source_power               0.05
_diffrn_source_voltage             50.0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3615
_reflns_number_total               3873
_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 V8.40A (Bruker, 2019)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.40A (Bruker, 2019)'
_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           0.316
_refine_diff_density_min           -0.209
_refine_diff_density_rms           0.077
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.060
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       236
_refine_ls_number_reflns           3873
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0681
_refine_ls_R_factor_gt             0.0664
_refine_ls_restrained_S_all        1.060
_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)+(0.1169P)²+0.8086P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1652
_refine_ls_wR_factor_ref           0.1673
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C008(H00A,H00B), C00D(H00E,H00F), C00M(H00K,H00M), C00N(H00N,H00O), C00O(H00P,
 H00Q), C00P(H00R,H00S), C00Q(H00T,H00U), C00R(H00V,H00W)
2.b Aromatic/amide H refined with riding coordinates:
 C007(H007), C00A(H00C), C00B(H00D), C00G(H00G), C00H(H00H), C00I(H00I),
 C00J(H00J), C00L(H00L)
;
_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
 O001 O 0.57846(10) 0.63275(6) 0.59610(5) 0.0519(3) Uani 1 1 d . . . . .
 O002 O 0.56694(10) 0.23305(6) 0.62103(5) 0.0558(3) Uani 1 1 d . . . . .
 O003 O 0.32079(10) 0.60175(6) 0.53949(5) 0.0545(3) Uani 1 1 d . . . . .
 O004 O 0.34039(10) 0.33970(6) 0.61535(6) 0.0544(3) Uani 1 1 d . . . . .
 O005 O 0.12529(11) 0.48921(6) 0.55250(6) 0.0565(3) Uani 1 1 d . . . . .
 C006 C 1.000000 0.40209(12) 0.750000 0.0491(4) Uani 1 2 d S T P . .
 C007 C 0.86629(14) 0.50973(8) 0.64170(7) 0.0496(3) Uani 1 1 d . . . . .
 H007 H 0.918951 0.475645 0.622629 0.060 Uiso 1 1 calc R U . . .
 C008 C 0.10997(15) 0.56795(8) 0.55845(8) 0.0537(4) Uani 1 1 d . . . . .
 H00A H 0.140081 0.582514 0.604337 0.064 Uiso 1 1 calc R U . . .
 H00B H 0.015525 0.580535 0.546993 0.064 Uiso 1 1 calc R U . . .
 C009 C 0.88474(14) 0.35741(8) 0.71763(7) 0.0485(3) Uani 1 1 d . . . . .
 C00A C 0.76302(14) 0.54604(8) 0.60211(7) 0.0496(3) Uani 1 1 d . . . . .
 H00C H 0.746772 0.537597 0.556534 0.060 Uiso 1 1 calc R U . . .
 C00B C 0.75651(15) 0.37612(8) 0.72405(7) 0.0506(3) Uani 1 1 d . . . . .
 H00D H 0.742763 0.417586 0.750503 0.061 Uiso 1 1 calc R U . . .
 C00C C 0.66791(14) 0.27422(8) 0.65538(7) 0.0493(3) Uani 1 1 d . . . . .
 C00D C 0.44982(15) 0.22312(9) 0.64805(8) 0.0545(4) Uani 1 1 d . . . . .
 H00E H 0.464704 0.243375 0.692821 0.065 Uiso 1 1 calc R U . . .
 H00F H 0.431642 0.168916 0.650678 0.065 Uiso 1 1 calc R U . . .
 C00E C 0.89450(14) 0.52195(8) 0.70828(7) 0.0486(3) Uani 1 1 d . . . . .
 C00F C 1.000000 0.47789(11) 0.750000 0.0493(4) Uani 1 2 d S T P . .
 C00G C 0.71283(15) 0.60958(8) 0.69652(7) 0.0513(3) Uani 1 1 d . . . . .
 H00G H 0.660292 0.643772 0.715555 0.062 Uiso 1 1 calc R U . . .
 C00H C 0.79486(15) 0.25310(8) 0.64957(7) 0.0515(3) Uani 1 1 d . . . . .
 H00H H 0.808527 0.210382 0.624528 0.062 Uiso 1 1 calc R U . . .
 C00I C 0.64839(15) 0.33603(8) 0.69297(7) 0.0512(3) Uani 1 1 d . . . . .
 H00I H 0.562077 0.350687 0.697359 0.061 Uiso 1 1 calc R U . . .
 C00J C 0.90125(14) 0.29429(8) 0.68024(7) 0.0509(3) Uani 1 1 d . . . . .
 H00J H 0.987419 0.279374 0.675806 0.061 Uiso 1 1 calc R U . . .
 C00K C 0.68381(14) 0.59482(8) 0.62992(7) 0.0479(3) Uani 1 1 d . . . . .
 C00L C 0.81809(15) 0.57443(8) 0.73474(7) 0.0512(3) Uani 1 1 d . . . . .
 H00L H 0.838922 0.586068 0.779715 0.061 Uiso 1 1 calc R U . . .
 C00M C 0.18450(14) 0.61263(9) 0.51620(7) 0.0512(3) Uani 1 1 d . . . . .
 H00K H 0.161566 0.595716 0.470520 0.061 Uiso 1 1 calc R U . . .
 H00M H 0.162051 0.666343 0.518108 0.061 Uiso 1 1 calc R U . . .
 C00N C 0.54093(15) 0.61553(9) 0.52859(7) 0.0530(3) Uani 1 1 d . . . . .
 H00N H 0.544542 0.560778 0.521876 0.064 Uiso 1 1 calc R U . . .
 H00O H 0.601923 0.639847 0.503403 0.064 Uiso 1 1 calc R U . . .
 C00O C 0.40363(15) 0.64354(9) 0.50602(8) 0.0549(4) Uani 1 1 d . . . . .
 H00P H 0.397826 0.697487 0.515918 0.066 Uiso 1 1 calc R U . . .
 H00Q H 0.377689 0.636436 0.458536 0.066 Uiso 1 1 calc R U . . .
 C00P C 0.22023(15) 0.37433(9) 0.58799(8) 0.0555(4) Uani 1 1 d . . . . .
 H00R H 0.150101 0.358510 0.611809 0.067 Uiso 1 1 calc R U . . .
 H00S H 0.194482 0.359151 0.541972 0.067 Uiso 1 1 calc R U . . .
 C00Q C 0.33186(15) 0.26080(9) 0.60918(9) 0.0572(4) Uani 1 1 d . . . . .
 H00T H 0.324725 0.246906 0.562846 0.069 Uiso 1 1 calc R U . . .
 H00U H 0.251608 0.243096 0.624287 0.069 Uiso 1 1 calc R U . . .
 C00R C 0.23721(16) 0.45805(9) 0.59242(8) 0.0555(4) Uani 1 1 d . . . . .
 H00V H 0.242866 0.475032 0.637910 0.067 Uiso 1 1 calc R U . . .
 H00W H 0.318348 0.473331 0.576851 0.067 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
 O001 C00K 1.3699(17) . ?
 O001 C00N 1.4299(18) . ?
 O002 C00C 1.3729(17) . ?
 O002 C00D 1.4341(19) . ?
 O003 C00M 1.4217(18) . ?
 O003 C00O 1.4109(19) . ?
 O004 C00P 1.4162(19) . ?
 O004 C00Q 1.4172(19) . ?
 O005 C008 1.4239(19) . ?
 O005 C00R 1.4170(18) . ?
 C006 C009 1.4946(18) 2_756 ?
 C006 C009 1.4946(18) . ?
 C006 C00F 1.355(3) . ?
 C007 H007 0.9500 . ?
 C007 C00A 1.392(2) . ?
 C007 C00E 1.388(2) . ?
 C008 H00A 0.9900 . ?
 C008 H00B 0.9900 . ?
 C008 C00M 1.500(2) . ?
 C009 C00B 1.397(2) . ?
 C009 C00J 1.400(2) . ?
 C00A H00C 0.9500 . ?
 C00A C00K 1.391(2) . ?
 C00B H00D 0.9500 . ?
 C00B C00I 1.390(2) . ?
 C00C C00H 1.392(2) . ?
 C00C C00I 1.390(2) . ?
 C00D H00E 0.9900 . ?
 C00D H00F 0.9900 . ?
 C00D C00Q 1.502(2) . ?
 C00E C00F 1.4959(18) . ?
 C00E C00L 1.401(2) . ?
 C00G H00G 0.9500 . ?
 C00G C00K 1.397(2) . ?
 C00G C00L 1.383(2) . ?
 C00H H00H 0.9500 . ?
 C00H C00J 1.384(2) . ?
 C00I H00I 0.9500 . ?
 C00J H00J 0.9500 . ?
 C00L H00L 0.9500 . ?
 C00M H00K 0.9900 . ?
 C00M H00M 0.9900 . ?
 C00N H00N 0.9900 . ?
 C00N H00O 0.9900 . ?
 C00N C00O 1.502(2) . ?
 C00O H00P 0.9900 . ?
 C00O H00Q 0.9900 . ?
 C00P H00R 0.9900 . ?
 C00P H00S 0.9900 . ?
 C00P C00R 1.507(2) . ?
 C00Q H00T 0.9900 . ?
 C00Q H00U 0.9900 . ?
 C00R H00V 0.9900 . ?
 C00R H00W 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
 C00K O001 C00N 117.18(11) . . ?
 C00C O002 C00D 118.54(12) . . ?
 C00O O003 C00M 114.17(12) . . ?
 C00P O004 C00Q 111.21(11) . . ?
 C00R O005 C008 115.39(12) . . ?
 C009 C006 C009 115.41(17) . 2_756 ?
 C00F C006 C009 122.29(8) . . ?
 C00F C006 C009 122.29(9) . 2_756 ?
 C00A C007 H007 119.1 . . ?
 C00E C007 H007 119.1 . . ?
 C00E C007 C00A 121.84(13) . . ?
 O005 C008 H00A 108.9 . . ?
 O005 C008 H00B 108.9 . . ?
 O005 C008 C00M 113.47(13) . . ?
 H00A C008 H00B 107.7 . . ?
 C00M C008 H00A 108.9 . . ?
 C00M C008 H00B 108.9 . . ?
 C00B C009 C006 121.60(13) . . ?
 C00B C009 C00J 117.21(13) . . ?
 C00J C009 C006 121.18(13) . . ?
 C007 C00A H00C 120.3 . . ?
 C00K C00A C007 119.36(13) . . ?
 C00K C00A H00C 120.3 . . ?
 C009 C00B H00D 119.0 . . ?
 C00I C00B C009 122.10(13) . . ?
 C00I C00B H00D 119.0 . . ?
 O002 C00C C00H 116.85(13) . . ?
 O002 C00C C00I 123.29(13) . . ?
 C00I C00C C00H 119.82(13) . . ?
 O002 C00D H00E 108.9 . . ?
 O002 C00D H00F 108.9 . . ?
 O002 C00D C00Q 113.18(13) . . ?
 H00E C00D H00F 107.8 . . ?
 C00Q C00D H00E 108.9 . . ?
 C00Q C00D H00F 108.9 . . ?
 C007 C00E C00F 120.37(12) . . ?
 C007 C00E C00L 117.83(13) . . ?
 C00L C00E C00F 121.76(12) . . ?
 C006 C00F C00E 121.76(8) . . ?
 C006 C00F C00E 121.76(8) . 2_756 ?
 C00E C00F C00E 116.49(17) 2_756 . ?
 C00K C00G H00G 120.0 . . ?
 C00L C00G H00G 120.0 . . ?
 C00L C00G C00K 119.99(14) . . ?
 C00C C00H H00H 120.0 . . ?
 C00J C00H C00C 120.05(13) . . ?
 C00J C00H H00H 120.0 . . ?
 C00B C00I C00C 119.29(13) . . ?
 C00B C00I H00I 120.4 . . ?
 C00C C00I H00I 120.4 . . ?
 C009 C00J H00J 119.3 . . ?
 C00H C00J C009 121.49(13) . . ?
 C00H C00J H00J 119.3 . . ?
 O001 C00K C00A 124.58(13) . . ?
 O001 C00K C00G 115.70(13) . . ?
 C00A C00K C00G 119.69(13) . . ?
 C00E C00L H00L 119.4 . . ?
 C00G C00L C00E 121.14(14) . . ?
 C00G C00L H00L 119.4 . . ?
 O003 C00M C008 107.84(12) . . ?
 O003 C00M H00K 110.1 . . ?
 O003 C00M H00M 110.1 . . ?
 C008 C00M H00K 110.1 . . ?
 C008 C00M H00M 110.1 . . ?
 H00K C00M H00M 108.5 . . ?
 O001 C00N H00N 110.0 . . ?
 O001 C00N H00O 110.0 . . ?
 O001 C00N C00O 108.46(13) . . ?
 H00N C00N H00O 108.4 . . ?
 C00O C00N H00N 110.0 . . ?
 C00O C00N H00O 110.0 . . ?
 O003 C00O C00N 106.89(12) . . ?
 O003 C00O H00P 110.3 . . ?
 O003 C00O H00Q 110.3 . . ?
 C00N C00O H00P 110.3 . . ?
 C00N C00O H00Q 110.3 . . ?
 H00P C00O H00Q 108.6 . . ?
 O004 C00P H00R 109.9 . . ?
 O004 C00P H00S 109.9 . . ?
 O004 C00P C00R 108.93(13) . . ?
 H00R C00P H00S 108.3 . . ?
 C00R C00P H00R 109.9 . . ?
 C00R C00P H00S 109.9 . . ?
 O004 C00Q C00D 111.42(12) . . ?
 O004 C00Q H00T 109.3 . . ?
 O004 C00Q H00U 109.3 . . ?
 C00D C00Q H00T 109.3 . . ?
 C00D C00Q H00U 109.3 . . ?
 H00T C00Q H00U 108.0 . . ?
 O005 C00R C00P 106.23(13) . . ?
 O005 C00R H00V 110.5 . . ?
 O005 C00R H00W 110.5 . . ?
 C00P C00R H00V 110.5 . . ?
 C00P C00R H00W 110.5 . . ?
 H00V C00R H00W 108.7 . . ?

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
 O001 C00N C00O O003 -64.98(16) . . . . ?
 O002 C00C C00H C00J 176.82(13) . . . . ?
 O002 C00C C00I C00B -177.48(13) . . . . ?
 O002 C00D C00Q O004 -71.29(17) . . . . ?
 O004 C00P C00R O005 167.72(12) . . . . ?
 O005 C008 C00M O003 -66.65(16) . . . . ?
 C006 C009 C00B C00I 178.49(13) . . . . ?
 C006 C009 C00J C00H -179.32(13) . . . . ?
 C007 C00A C00K O001 -178.99(13) . . . . ?
 C007 C00A C00K C00G 3.2(2) . . . . ?
 C007 C00E C00F C006 -54.76(14) . . . . ?
 C007 C00E C00F C00E 125.24(14) . . . 2_756 ?
 C007 C00E C00L C00G 3.9(2) . . . . ?
 C008 O005 C00R C00P 169.49(13) . . . . ?
 C009 C006 C009 C00B 136.17(15) 2_756 . . . ?
 C009 C006 C009 C00J -42.96(11) 2_756 . . . ?
 C009 C006 C00F C00E -10.64(10) 2_756 . . 2_756 ?
 C009 C006 C00F C00E 169.36(10) . . . 2_756 ?
 C009 C006 C00F C00E 169.36(10) 2_756 . . . ?
 C009 C006 C00F C00E -10.64(10) . . . . ?
 C009 C00B C00I C00C 1.5(2) . . . . ?
 C00A C007 C00E C00F 175.57(13) . . . . ?
 C00A C007 C00E C00L -2.2(2) . . . . ?
 C00B C009 C00J C00H 1.5(2) . . . . ?
 C00C O002 C00D C00Q 113.81(15) . . . . ?
 C00C C00H C00J C009 0.2(2) . . . . ?
 C00D O002 C00C C00H 147.32(14) . . . . ?
 C00D O002 C00C C00I -34.9(2) . . . . ?
 C00E C007 C00A C00K -1.4(2) . . . . ?
 C00F C006 C009 C00B -43.83(15) . . . . ?
 C00F C006 C009 C00J 137.04(11) . . . . ?
 C00F C00E C00L C00G -173.79(13) . . . . ?
 C00H C00C C00I C00B 0.3(2) . . . . ?
 C00I C00C C00H C00J -1.1(2) . . . . ?
 C00J C009 C00B C00I -2.3(2) . . . . ?
 C00K O001 C00N C00O 162.63(12) . . . . ?
 C00K C00G C00L C00E -2.1(2) . . . . ?
 C00L C00E C00F C006 122.87(12) . . . . ?
 C00L C00E C00F C00E -57.13(12) . . . 2_756 ?
 C00L C00G C00K O001 -179.50(13) . . . . ?
 C00L C00G C00K C00A -1.5(2) . . . . ?
 C00M O003 C00O C00N -170.29(12) . . . . ?
 C00N O001 C00K C00A 5.9(2) . . . . ?
 C00N O001 C00K C00G -176.21(12) . . . . ?
 C00O O003 C00M C008 -177.15(13) . . . . ?
 C00P O004 C00Q C00D -170.01(13) . . . . ?
 C00Q O004 C00P C00R -176.78(13) . . . . ?
 C00R O005 C008 C00M 85.45(16) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
