data_211215lt_auto
_audit_creation_date               2021-12-06
_audit_creation_method
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_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           'C32 H30 O'
_chemical_formula_sum              'C32 H30 O'
_chemical_formula_weight           430.56
_chemical_absolute_configuration   rm
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C H O '
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             4
_space_group_name_H-M_alt          'P 1 21 1'
_space_group_name_Hall             'P 2yb'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z'

_cell_length_a                     8.1480(5)
_cell_length_b                     10.0931(5)
_cell_length_c                     14.7699(8)
_cell_angle_alpha                  90
_cell_angle_beta                   103.183(6)
_cell_angle_gamma                  90
_cell_volume                       1182.64(12)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9705
_cell_measurement_temperature      100
_cell_measurement_theta_max        71.8450
_cell_measurement_theta_min        3.0190
_shelx_estimated_absorpt_T_max     0.973
_shelx_estimated_absorpt_T_min     0.918
_exptl_absorpt_coefficient_mu      0.541
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.83749
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.33a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.209
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         plate
_exptl_crystal_F_000               460
_exptl_crystal_size_max            0.16
_exptl_crystal_size_mid            0.15
_exptl_crystal_size_min            0.05
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0338
_diffrn_reflns_av_unetI/netI       0.0301
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  1.000
_diffrn_reflns_limit_h_max         9
_diffrn_reflns_limit_h_min         -9
_diffrn_reflns_limit_k_max         12
_diffrn_reflns_limit_k_min         -11
_diffrn_reflns_limit_l_max         17
_diffrn_reflns_limit_l_min         -16
_diffrn_reflns_number              12592
_diffrn_reflns_point_group_measured_fraction_full  0.952
_diffrn_reflns_point_group_measured_fraction_max  0.952
_diffrn_reflns_theta_full          67.050
_diffrn_reflns_theta_max           67.050
_diffrn_reflns_theta_min           3.073
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        100
_diffrn_detector                   'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean   10.0000
_diffrn_detector_type              'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω     52.00 112.00   0.30    0.38    --   74.39  15.00 -60.00  200
  2  ω     55.00 115.00   0.30    0.38    --   74.39  15.00-120.00  200
  3  ω     84.00 115.80   0.30    0.38    --   74.39  15.00-180.00  106
  4  ω     80.00 116.00   0.30    0.38    --   74.39  15.00 150.00  120
  5  ω     52.00  77.80   0.30    0.38    --   74.39  15.00 150.00   86
  6  ω     21.00  76.20   0.30    0.38    --   57.89-125.00 -60.00  184
  7  ω     24.00  59.10   0.30    0.38    --   57.89-125.00-120.00  117
  8  ω     66.00 100.20   0.30    0.38    --   78.57-125.00  28.33  114
  9  ω     33.00  67.80   0.30    0.38    --   74.39-125.00  90.00  116
 10  ω     18.00  43.80   0.30    0.38    --   57.89-125.00 120.00   86
 11  ω     48.00  98.10   0.30    0.38    --   78.57-124.00 100.05  167
 12  ω     57.00  93.00   0.30    0.38    --   74.00-119.00  51.23  120
 13  ω     39.00  87.00   0.30    0.38    --   78.57-103.00 -54.46  160
 14  ω     40.00  90.10   0.30    0.38    --   78.57-113.00 -95.68  167
 15  ω   -106.00 -55.00   0.30    0.38    --  -60.97 -15.00 -30.00  170
 16  ω   -105.00 -48.00   0.30    0.38    --  -60.97 -15.00  60.00  190
 17  ω    -90.00 -61.20   0.30    0.38    --  -73.68 -15.00 -30.00   96
 18  ω   -104.00 -44.90   0.30    0.38    --  -60.97 -15.00 -90.00  197
 19  ω   -115.00 -73.00   0.30    0.38    --  -73.68 -15.00-120.00  140
 20  ω    -95.00 -53.00   0.30    0.38    --  -60.97 -15.00-180.00  140
 21  ω    -78.00 -40.20   0.30    0.38    --  -78.57 140.00 -68.73  126
 22  ω    -95.00 -32.00   0.30    0.38    --  -74.02 125.00 -90.00  210
 23  ω    -65.00 -32.00   0.30    0.38    --  -73.68 125.00 -30.00  110
 24  ω    -98.00 -47.90   0.30    0.38    --  -78.57 119.00-142.20  167
 25  ω    -96.00 -39.90   0.30    0.38    --  -74.02 125.00  30.00  187
 26  ω    -99.00 -42.90   0.30    0.38    --  -78.57 121.00  61.17  187
 27  ω    -96.00 -30.90   0.30    0.38    --  -74.02 125.00  90.00  217
 28  ω    -96.00 -54.00   0.30    0.38    --  -74.02 125.00 150.00  140
 29  ω    -98.00 -38.90   0.30    0.38    --  -78.57 119.00 129.06  197
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0563377000
_diffrn_orient_matrix_UB_12        -0.1079632000
_diffrn_orient_matrix_UB_13        0.0602412000
_diffrn_orient_matrix_UB_21        0.1856658000
_diffrn_orient_matrix_UB_22        -0.0283255000
_diffrn_orient_matrix_UB_23        0.0470568000
_diffrn_orient_matrix_UB_31        -0.0083710000
_diffrn_orient_matrix_UB_32        0.1041999000
_diffrn_orient_matrix_UB_33        0.0749356000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Cu K\a'
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'Rotating-anode X-ray tube'
_diffrn_source_type                'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage           0.792
_reflns_Friedel_fraction_full      0.898
_reflns_Friedel_fraction_max       0.898
_reflns_number_gt                  3840
_reflns_number_total               4011
_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         'CrysAlisPro 1.171.42.33a (Rigaku OD, 2021)'
_computing_data_collection         'CrysAlisPro 1.171.42.33a (Rigaku OD, 2021)'
_computing_data_reduction          'CrysAlisPro 1.171.42.33a (Rigaku OD, 2021)'
_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  (Sheldrick, 2015)'
_refine_diff_density_max           0.166
_refine_diff_density_min           -0.136
_refine_diff_density_rms           0.035
_refine_ls_abs_structure_details
;
 Flack x determined using 1621 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     -0.04(17)
_refine_ls_extinction_coef         0.0075(9)
_refine_ls_extinction_expression  
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_extinction_method       'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref     1.079
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       303
_refine_ls_number_reflns           4011
_refine_ls_number_restraints       1
_refine_ls_R_factor_all            0.0320
_refine_ls_R_factor_gt             0.0306
_refine_ls_restrained_S_all        1.079
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0541P)²+0.0246P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0808
_refine_ls_wR_factor_ref           0.0817
_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:
 C7(H7)
2.b Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C19(H19), C20(H20),
 C22(H22), C23(H23), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31)
2.d Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C)
;
_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
 C1 C 0.0679(2) 0.5983(2) 0.28146(13) 0.0189(4) Uani 1 1 d . . . . .
 C2 C 0.2130(2) 0.54072(19) 0.26896(13) 0.0169(4) Uani 1 1 d . . . . .
 C3 C 0.2962(2) 0.52240(19) 0.18724(13) 0.0175(4) Uani 1 1 d . . . . .
 C4 C 0.2794(2) 0.3744(2) 0.16355(13) 0.0191(4) Uani 1 1 d . . . . .
 H4 H 0.191468 0.337005 0.117068 0.023 Uiso 1 1 calc R U . . .
 C5 C 0.4042(2) 0.3050(2) 0.21668(13) 0.0195(4) Uani 1 1 d . . . . .
 C6 C 0.5250(2) 0.3973(2) 0.28257(13) 0.0181(4) Uani 1 1 d . . . . .
 C7 C 0.4610(2) 0.40660(19) 0.37546(13) 0.0173(4) Uani 1 1 d . . . . .
 H7 H 0.431868 0.314330 0.390861 0.021 Uiso 1 1 calc R U . . .
 C8 C 0.2980(2) 0.48601(19) 0.35827(13) 0.0169(4) Uani 1 1 d . . . . .
 C9 C 0.2013(2) 0.5168(2) 0.41905(13) 0.0191(4) Uani 1 1 d . . . . .
 C11 C 0.2481(2) 0.6183(2) 0.10677(13) 0.0186(4) Uani 1 1 d . . . . .
 C12 C 0.2286(2) 0.7540(2) 0.12177(14) 0.0198(4) Uani 1 1 d . . . . .
 H12 H 0.239260 0.786065 0.183309 0.024 Uiso 1 1 calc R U . . .
 C13 C 0.1937(3) 0.8420(2) 0.04741(14) 0.0237(5) Uani 1 1 d . . . . .
 H13 H 0.177705 0.933314 0.058258 0.028 Uiso 1 1 calc R U . . .
 C14 C 0.1822(3) 0.7970(2) -0.04230(15) 0.0264(5) Uani 1 1 d . . . . .
 H14 H 0.159521 0.857534 -0.092892 0.032 Uiso 1 1 calc R U . . .
 C15 C 0.2038(3) 0.6635(2) -0.05821(15) 0.0279(5) Uani 1 1 d . . . . .
 H15 H 0.197217 0.632465 -0.119658 0.033 Uiso 1 1 calc R U . . .
 C16 C 0.2351(3) 0.5750(2) 0.01591(14) 0.0238(5) Uani 1 1 d . . . . .
 H16 H 0.247797 0.483372 0.004358 0.029 Uiso 1 1 calc R U . . .
 C17 C 0.4895(2) 0.5285(2) 0.22908(13) 0.0182(4) Uani 1 1 d . . . . .
 H17A H 0.553035 0.534150 0.179503 0.022 Uiso 1 1 calc R U . . .
 H17B H 0.519215 0.605339 0.271320 0.022 Uiso 1 1 calc R U . . .
 C18 C 0.5921(2) 0.45681(19) 0.45898(13) 0.0180(4) Uani 1 1 d . . . . .
 C19 C 0.6581(3) 0.3700(2) 0.53157(13) 0.0211(4) Uani 1 1 d . . . . .
 H19 H 0.623675 0.279865 0.526923 0.025 Uiso 1 1 calc R U . . .
 C20 C 0.7738(3) 0.4130(2) 0.61088(14) 0.0227(5) Uani 1 1 d . . . . .
 H20 H 0.814483 0.352206 0.659984 0.027 Uiso 1 1 calc R U . . .
 C21 C 0.8308(2) 0.5436(2) 0.61932(14) 0.0215(4) Uani 1 1 d . . . . .
 C22 C 0.7684(3) 0.6292(2) 0.54535(14) 0.0219(4) Uani 1 1 d . . . . .
 H22 H 0.807792 0.718022 0.548439 0.026 Uiso 1 1 calc R U . . .
 C23 C 0.6499(2) 0.5876(2) 0.46720(14) 0.0211(4) Uani 1 1 d . . . . .
 H23 H 0.607622 0.648934 0.418705 0.025 Uiso 1 1 calc R U . . .
 C24 C 0.9553(3) 0.5908(2) 0.70515(15) 0.0273(5) Uani 1 1 d . . . . .
 H24A H 1.069423 0.587730 0.694225 0.041 Uiso 1 1 calc R U . . .
 H24B H 0.949198 0.533278 0.757746 0.041 Uiso 1 1 calc R U . . .
 H24C H 0.928095 0.681973 0.719221 0.041 Uiso 1 1 calc R U . . .
 C25 C 0.7093(3) 0.3541(2) 0.30084(14) 0.0225(4) Uani 1 1 d . . . . .
 H25A H 0.781099 0.423674 0.335490 0.034 Uiso 1 1 calc R U . . .
 H25B H 0.740726 0.338889 0.241457 0.034 Uiso 1 1 calc R U . . .
 H25C H 0.724463 0.272055 0.337276 0.034 Uiso 1 1 calc R U . . .
 C26 C -0.0765(2) 0.6682(2) 0.22429(15) 0.0204(4) Uani 1 1 d . . . . .
 C27 C -0.1643(3) 0.7619(2) 0.26562(17) 0.0265(5) Uani 1 1 d . . . . .
 H27 H -0.129971 0.778740 0.330481 0.032 Uiso 1 1 calc R U . . .
 C28 C -0.3007(3) 0.8300(2) 0.21235(19) 0.0338(6) Uani 1 1 d . . . . .
 H28 H -0.358910 0.893110 0.241074 0.041 Uiso 1 1 calc R U . . .
 C29 C -0.3526(3) 0.8067(3) 0.11797(19) 0.0379(6) Uani 1 1 d . . . . .
 H29 H -0.445164 0.854349 0.081715 0.045 Uiso 1 1 calc R U . . .
 C30 C -0.2682(3) 0.7129(3) 0.07637(17) 0.0327(6) Uani 1 1 d . . . . .
 H30 H -0.304337 0.695882 0.011617 0.039 Uiso 1 1 calc R U . . .
 C31 C -0.1319(2) 0.6444(2) 0.12875(15) 0.0240(5) Uani 1 1 d . . . . .
 H31 H -0.075504 0.580523 0.099592 0.029 Uiso 1 1 calc R U . . .
 C32 C 0.4263(3) 0.1573(2) 0.21932(15) 0.0260(5) Uani 1 1 d . . . . .
 H32A H 0.328604 0.115696 0.177993 0.039 Uiso 1 1 calc R U . . .
 H32B H 0.435929 0.125429 0.282998 0.039 Uiso 1 1 calc R U . . .
 H32C H 0.528771 0.134224 0.198673 0.039 Uiso 1 1 calc R U . . .
 C33 C 0.2151(3) 0.4933(2) 0.51990(14) 0.0248(5) Uani 1 1 d . . . . .
 H33A H 0.229488 0.578203 0.552992 0.037 Uiso 1 1 calc R U . . .
 H33B H 0.312607 0.436440 0.544423 0.037 Uiso 1 1 calc R U . . .
 H33C H 0.112390 0.449845 0.528763 0.037 Uiso 1 1 calc R U . . .
 O10 O 0.06065(17) 0.58554(14) 0.37414(9) 0.0198(3) Uani 1 1 d . . . . .


_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
 C1 C2 1.367(3) . ?
 C1 C26 1.463(3) . ?
 C1 O10 1.390(2) . ?
 C2 C3 1.524(3) . ?
 C2 C8 1.452(3) . ?
 C3 C4 1.533(3) . ?
 C3 C11 1.514(3) . ?
 C3 C17 1.556(3) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.333(3) . ?
 C5 C6 1.532(3) . ?
 C5 C32 1.502(3) . ?
 C6 C7 1.578(3) . ?
 C6 C17 1.536(3) . ?
 C6 C25 1.528(3) . ?
 C7 H7 1.0000 . ?
 C7 C8 1.522(3) . ?
 C7 C18 1.523(3) . ?
 C8 C9 1.358(3) . ?
 C9 C33 1.487(3) . ?
 C9 O10 1.374(2) . ?
 C11 C12 1.401(3) . ?
 C11 C16 1.393(3) . ?
 C12 H12 0.9500 . ?
 C12 C13 1.391(3) . ?
 C13 H13 0.9500 . ?
 C13 C14 1.383(3) . ?
 C14 H14 0.9500 . ?
 C14 C15 1.386(3) . ?
 C15 H15 0.9500 . ?
 C15 C16 1.391(3) . ?
 C16 H16 0.9500 . ?
 C17 H17A 0.9900 . ?
 C17 H17B 0.9900 . ?
 C18 C19 1.394(3) . ?
 C18 C23 1.397(3) . ?
 C19 H19 0.9500 . ?
 C19 C20 1.395(3) . ?
 C20 H20 0.9500 . ?
 C20 C21 1.394(3) . ?
 C21 C22 1.394(3) . ?
 C21 C24 1.509(3) . ?
 C22 H22 0.9500 . ?
 C22 C23 1.390(3) . ?
 C23 H23 0.9500 . ?
 C24 H24A 0.9800 . ?
 C24 H24B 0.9800 . ?
 C24 H24C 0.9800 . ?
 C25 H25A 0.9800 . ?
 C25 H25B 0.9800 . ?
 C25 H25C 0.9800 . ?
 C26 C27 1.406(3) . ?
 C26 C31 1.401(3) . ?
 C27 H27 0.9500 . ?
 C27 C28 1.389(3) . ?
 C28 H28 0.9500 . ?
 C28 C29 1.381(4) . ?
 C29 H29 0.9500 . ?
 C29 C30 1.392(4) . ?
 C30 H30 0.9500 . ?
 C30 C31 1.385(3) . ?
 C31 H31 0.9500 . ?
 C32 H32A 0.9800 . ?
 C32 H32B 0.9800 . ?
 C32 H32C 0.9800 . ?
 C33 H33A 0.9800 . ?
 C33 H33B 0.9800 . ?
 C33 H33C 0.9800 . ?

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
 C2 C1 C26 137.15(19) . . ?
 C2 C1 O10 109.02(17) . . ?
 O10 C1 C26 113.83(17) . . ?
 C1 C2 C3 135.47(18) . . ?
 C1 C2 C8 106.67(17) . . ?
 C8 C2 C3 117.85(16) . . ?
 C2 C3 C4 105.43(15) . . ?
 C2 C3 C17 105.87(15) . . ?
 C4 C3 C17 99.15(15) . . ?
 C11 C3 C2 117.50(16) . . ?
 C11 C3 C4 116.77(16) . . ?
 C11 C3 C17 110.10(16) . . ?
 C3 C4 H4 124.4 . . ?
 C5 C4 C3 111.16(17) . . ?
 C5 C4 H4 124.4 . . ?
 C4 C5 C6 110.39(17) . . ?
 C4 C5 C32 127.45(19) . . ?
 C32 C5 C6 122.09(18) . . ?
 C5 C6 C7 107.26(15) . . ?
 C5 C6 C17 100.32(15) . . ?
 C17 C6 C7 109.57(16) . . ?
 C25 C6 C5 113.74(17) . . ?
 C25 C6 C7 111.72(15) . . ?
 C25 C6 C17 113.52(16) . . ?
 C6 C7 H7 106.5 . . ?
 C8 C7 C6 109.59(15) . . ?
 C8 C7 H7 106.5 . . ?
 C8 C7 C18 112.59(15) . . ?
 C18 C7 C6 114.48(15) . . ?
 C18 C7 H7 106.5 . . ?
 C2 C8 C7 124.68(17) . . ?
 C9 C8 C2 106.57(17) . . ?
 C9 C8 C7 128.73(17) . . ?
 C8 C9 C33 134.64(19) . . ?
 C8 C9 O10 110.00(16) . . ?
 O10 C9 C33 115.35(17) . . ?
 C12 C11 C3 121.27(18) . . ?
 C16 C11 C3 120.31(18) . . ?
 C16 C11 C12 118.23(18) . . ?
 C11 C12 H12 119.7 . . ?
 C13 C12 C11 120.60(19) . . ?
 C13 C12 H12 119.7 . . ?
 C12 C13 H13 119.9 . . ?
 C14 C13 C12 120.3(2) . . ?
 C14 C13 H13 119.9 . . ?
 C13 C14 H14 120.1 . . ?
 C13 C14 C15 119.8(2) . . ?
 C15 C14 H14 120.1 . . ?
 C14 C15 H15 120.0 . . ?
 C14 C15 C16 119.9(2) . . ?
 C16 C15 H15 120.0 . . ?
 C11 C16 H16 119.4 . . ?
 C15 C16 C11 121.1(2) . . ?
 C15 C16 H16 119.4 . . ?
 C3 C17 H17A 111.2 . . ?
 C3 C17 H17B 111.2 . . ?
 C6 C17 C3 102.99(15) . . ?
 C6 C17 H17A 111.2 . . ?
 C6 C17 H17B 111.2 . . ?
 H17A C17 H17B 109.1 . . ?
 C19 C18 C7 119.35(17) . . ?
 C19 C18 C23 117.62(18) . . ?
 C23 C18 C7 123.02(17) . . ?
 C18 C19 H19 119.4 . . ?
 C18 C19 C20 121.25(19) . . ?
 C20 C19 H19 119.4 . . ?
 C19 C20 H20 119.4 . . ?
 C21 C20 C19 121.12(19) . . ?
 C21 C20 H20 119.4 . . ?
 C20 C21 C22 117.47(19) . . ?
 C20 C21 C24 121.33(19) . . ?
 C22 C21 C24 121.20(19) . . ?
 C21 C22 H22 119.2 . . ?
 C23 C22 C21 121.57(19) . . ?
 C23 C22 H22 119.2 . . ?
 C18 C23 H23 119.5 . . ?
 C22 C23 C18 120.92(19) . . ?
 C22 C23 H23 119.5 . . ?
 C21 C24 H24A 109.5 . . ?
 C21 C24 H24B 109.5 . . ?
 C21 C24 H24C 109.5 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 C6 C25 H25A 109.5 . . ?
 C6 C25 H25B 109.5 . . ?
 C6 C25 H25C 109.5 . . ?
 H25A C25 H25B 109.5 . . ?
 H25A C25 H25C 109.5 . . ?
 H25B C25 H25C 109.5 . . ?
 C27 C26 C1 119.69(19) . . ?
 C31 C26 C1 122.04(19) . . ?
 C31 C26 C27 118.26(19) . . ?
 C26 C27 H27 119.7 . . ?
 C28 C27 C26 120.5(2) . . ?
 C28 C27 H27 119.7 . . ?
 C27 C28 H28 119.7 . . ?
 C29 C28 C27 120.6(2) . . ?
 C29 C28 H28 119.7 . . ?
 C28 C29 H29 120.2 . . ?
 C28 C29 C30 119.5(2) . . ?
 C30 C29 H29 120.2 . . ?
 C29 C30 H30 119.8 . . ?
 C31 C30 C29 120.4(2) . . ?
 C31 C30 H30 119.8 . . ?
 C26 C31 H31 119.7 . . ?
 C30 C31 C26 120.7(2) . . ?
 C30 C31 H31 119.7 . . ?
 C5 C32 H32A 109.5 . . ?
 C5 C32 H32B 109.5 . . ?
 C5 C32 H32C 109.5 . . ?
 H32A C32 H32B 109.5 . . ?
 H32A C32 H32C 109.5 . . ?
 H32B C32 H32C 109.5 . . ?
 C9 C33 H33A 109.5 . . ?
 C9 C33 H33B 109.5 . . ?
 C9 C33 H33C 109.5 . . ?
 H33A C33 H33B 109.5 . . ?
 H33A C33 H33C 109.5 . . ?
 H33B C33 H33C 109.5 . . ?
 C9 O10 C1 107.71(15) . . ?

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
 C1 C2 C3 C4 -109.0(2) . . . . ?
 C1 C2 C3 C11 23.1(3) . . . . ?
 C1 C2 C3 C17 146.5(2) . . . . ?
 C1 C2 C8 C7 176.84(18) . . . . ?
 C1 C2 C8 C9 -1.5(2) . . . . ?
 C1 C26 C27 C28 179.49(19) . . . . ?
 C1 C26 C31 C30 -179.49(19) . . . . ?
 C2 C1 C26 C27 -152.2(2) . . . . ?
 C2 C1 C26 C31 28.3(4) . . . . ?
 C2 C1 O10 C9 -1.2(2) . . . . ?
 C2 C3 C4 C5 -84.82(19) . . . . ?
 C2 C3 C11 C12 41.2(3) . . . . ?
 C2 C3 C11 C16 -143.84(19) . . . . ?
 C2 C3 C17 C6 71.43(18) . . . . ?
 C2 C8 C9 C33 -179.0(2) . . . . ?
 C2 C8 C9 O10 0.7(2) . . . . ?
 C3 C2 C8 C7 -2.6(3) . . . . ?
 C3 C2 C8 C9 179.08(17) . . . . ?
 C3 C4 C5 C6 -1.1(2) . . . . ?
 C3 C4 C5 C32 175.64(18) . . . . ?
 C3 C11 C12 C13 176.35(18) . . . . ?
 C3 C11 C16 C15 -175.01(19) . . . . ?
 C4 C3 C11 C12 167.98(18) . . . . ?
 C4 C3 C11 C16 -17.1(3) . . . . ?
 C4 C3 C17 C6 -37.59(17) . . . . ?
 C4 C5 C6 C7 91.16(19) . . . . ?
 C4 C5 C6 C17 -23.2(2) . . . . ?
 C4 C5 C6 C25 -144.78(18) . . . . ?
 C5 C6 C7 C8 -70.83(19) . . . . ?
 C5 C6 C7 C18 161.58(16) . . . . ?
 C5 C6 C17 C3 37.33(18) . . . . ?
 C6 C7 C8 C2 1.7(3) . . . . ?
 C6 C7 C8 C9 179.67(19) . . . . ?
 C6 C7 C18 C19 -110.8(2) . . . . ?
 C6 C7 C18 C23 69.6(2) . . . . ?
 C7 C6 C17 C3 -75.30(18) . . . . ?
 C7 C8 C9 C33 2.8(4) . . . . ?
 C7 C8 C9 O10 -177.49(17) . . . . ?
 C7 C18 C19 C20 -177.63(18) . . . . ?
 C7 C18 C23 C22 179.24(18) . . . . ?
 C8 C2 C3 C4 70.2(2) . . . . ?
 C8 C2 C3 C11 -157.66(17) . . . . ?
 C8 C2 C3 C17 -34.2(2) . . . . ?
 C8 C7 C18 C19 123.13(19) . . . . ?
 C8 C7 C18 C23 -56.4(2) . . . . ?
 C8 C9 O10 C1 0.3(2) . . . . ?
 C11 C3 C4 C5 142.66(17) . . . . ?
 C11 C3 C17 C6 -160.61(16) . . . . ?
 C11 C12 C13 C14 -1.7(3) . . . . ?
 C12 C11 C16 C15 0.1(3) . . . . ?
 C12 C13 C14 C15 0.7(3) . . . . ?
 C13 C14 C15 C16 0.7(3) . . . . ?
 C14 C15 C16 C11 -1.1(3) . . . . ?
 C16 C11 C12 C13 1.3(3) . . . . ?
 C17 C3 C4 C5 24.6(2) . . . . ?
 C17 C3 C11 C12 -80.0(2) . . . . ?
 C17 C3 C11 C16 94.9(2) . . . . ?
 C17 C6 C7 C8 37.2(2) . . . . ?
 C17 C6 C7 C18 -90.40(19) . . . . ?
 C18 C7 C8 C2 130.39(19) . . . . ?
 C18 C7 C8 C9 -51.7(3) . . . . ?
 C18 C19 C20 C21 -1.6(3) . . . . ?
 C19 C18 C23 C22 -0.3(3) . . . . ?
 C19 C20 C21 C22 -0.3(3) . . . . ?
 C19 C20 C21 C24 179.72(19) . . . . ?
 C20 C21 C22 C23 2.0(3) . . . . ?
 C21 C22 C23 C18 -1.7(3) . . . . ?
 C23 C18 C19 C20 1.9(3) . . . . ?
 C24 C21 C22 C23 -178.07(19) . . . . ?
 C25 C6 C7 C8 163.90(16) . . . . ?
 C25 C6 C7 C18 36.3(2) . . . . ?
 C25 C6 C17 C3 159.03(16) . . . . ?
 C26 C1 C2 C3 0.6(4) . . . . ?
 C26 C1 C2 C8 -178.8(2) . . . . ?
 C26 C1 O10 C9 179.06(17) . . . . ?
 C26 C27 C28 C29 0.1(3) . . . . ?
 C27 C26 C31 C30 1.0(3) . . . . ?
 C27 C28 C29 C30 0.8(3) . . . . ?
 C28 C29 C30 C31 -0.8(3) . . . . ?
 C29 C30 C31 C26 -0.1(3) . . . . ?
 C31 C26 C27 C28 -0.9(3) . . . . ?
 C32 C5 C6 C7 -85.8(2) . . . . ?
 C32 C5 C6 C17 159.80(18) . . . . ?
 C32 C5 C6 C25 38.3(3) . . . . ?
 C33 C9 O10 C1 -179.93(17) . . . . ?
 O10 C1 C2 C3 -179.0(2) . . . . ?
 O10 C1 C2 C8 1.7(2) . . . . ?
 O10 C1 C26 C27 27.4(3) . . . . ?
 O10 C1 C26 C31 -152.16(18) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  1.716
_oxdiff_exptl_absorpt_empirical_full_min  0.560
