data_xkt240725_auto
_audit_creation_date               2024-07-25
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number       '2018/3'
loop_
  _audit_author_name
  _audit_author_email
  _audit_author_address
 'Nishiuchi, T.' nishiuchit13@chem.sci.osaka-u.ac.jp
;
Osaka University
Department of Chemistry
1-1 Machikaneyama, Toyonaka
Osaka
560-0043
Japan
;

_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           'C23 H19 O'
_chemical_formula_sum              'C23 H19 O'
_chemical_formula_weight           311.38
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C23 H19 O'
_chemical_oxdiff_usercomment       'MesAnt-O radical'
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'
 '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        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     8.7514(9)
_cell_length_b                     22.1655(16)
_cell_length_c                     9.2360(9)
_cell_angle_alpha                  90
_cell_angle_beta                   113.649(12)
_cell_angle_gamma                  90
_cell_volume                       1641.1(3)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      6426
_cell_measurement_temperature      120.15
_cell_measurement_theta_max        31.3200
_cell_measurement_theta_min        1.8020
_shelx_estimated_absorpt_T_max     0.996
_shelx_estimated_absorpt_T_min     0.963
_exptl_absorpt_coefficient_mu      0.075
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.64721
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              black
_exptl_crystal_colour_primary      black
_exptl_crystal_density_diffrn      1.260
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         needle
_exptl_crystal_F_000               660
_exptl_crystal_size_max            0.5
_exptl_crystal_size_mid            0.05
_exptl_crystal_size_min            0.05
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0333
_diffrn_reflns_av_unetI/netI       0.0287
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  0.808
_diffrn_reflns_limit_h_max         11
_diffrn_reflns_limit_h_min         -11
_diffrn_reflns_limit_k_max         30
_diffrn_reflns_limit_k_min         -29
_diffrn_reflns_limit_l_max         12
_diffrn_reflns_limit_l_min         -12
_diffrn_reflns_number              19645
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_point_group_measured_fraction_max  0.808
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           31.112
_diffrn_reflns_theta_min           1.837
_diffrn_ambient_temperature        120.15
_diffrn_detector                   'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean   10.0000
_diffrn_detector_type              HyPix
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  0.808
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -19.00  41.00   0.50    8.62    --    1.41  77.00  85.00  120
  2  ω    -68.00   3.00   0.50    8.62    --    1.41 -77.00 -40.00  142
  3  ω    -70.00   9.00   0.50    8.62    --    1.41 -37.00-150.00  158
  4  ω    -11.00  36.00   0.50    8.62    --    4.92 -99.00 120.00   94
  5  ω    -11.00  36.00   0.50    8.62    --    4.92 -99.00  30.00   94
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        0.0558892000
_diffrn_orient_matrix_UB_12        -0.0247247000
_diffrn_orient_matrix_UB_13        0.0269720000
_diffrn_orient_matrix_UB_21        -0.0255241000
_diffrn_orient_matrix_UB_22        -0.0103010000
_diffrn_orient_matrix_UB_23        -0.0789474000
_diffrn_orient_matrix_UB_31        0.0637271000
_diffrn_orient_matrix_UB_32        0.0174839000
_diffrn_orient_matrix_UB_33        -0.0084284000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Mo K\a'
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'Rotating-anode X-ray tube'
_diffrn_source_type                'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3390
_reflns_number_total               4267
_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 1.171.41.122a (Rigaku OD, 2021)'
_computing_data_collection         'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)'
_computing_data_reduction          'CrysAlisPro 1.171.41.122a (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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           0.336
_refine_diff_density_min           -0.228
_refine_diff_density_rms           0.045
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.061
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       220
_refine_ls_number_reflns           4267
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0637
_refine_ls_R_factor_gt             0.0493
_refine_ls_restrained_S_all        1.061
_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)+(0.0716P)²+0.3996P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1305
_refine_ls_wR_factor_ref           0.1378
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C17(H17), C10(H10), C3(H3), C19(H19), C5(H5), C11(H11), C13(H13),
 C4(H4), C12(H12)
2.b Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C22(H22A,H22B,H22C)
;
_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 0.83010(13) 0.53980(5) 0.61366(12) 0.0393(3) Uani 1 1 d . . . . .
 C15 C 0.26689(14) 0.65376(5) 0.15438(14) 0.0213(2) Uani 1 1 d . . . . .
 C7 C 0.56134(15) 0.61311(5) 0.24618(14) 0.0221(2) Uani 1 1 d . . . . .
 C8 C 0.41593(15) 0.62374(5) 0.27658(13) 0.0211(2) Uani 1 1 d . . . . .
 C16 C 0.15851(15) 0.62071(6) 0.02298(14) 0.0225(3) Uani 1 1 d . . . . .
 C9 C 0.41328(16) 0.60490(5) 0.42347(14) 0.0225(2) Uani 1 1 d . . . . .
 C6 C 0.56903(16) 0.63185(6) 0.10261(15) 0.0258(3) Uani 1 1 d . . . . .
 H6 H 0.477179 0.652821 0.026565 0.031 Uiso 1 1 calc R U . . .
 C2 C 0.70269(15) 0.58275(6) 0.35820(15) 0.0249(3) Uani 1 1 d . . . . .
 C20 C 0.23429(16) 0.71501(6) 0.17001(15) 0.0258(3) Uani 1 1 d . . . . .
 C17 C 0.02001(16) 0.64945(6) -0.09025(15) 0.0264(3) Uani 1 1 d . . . . .
 H17 H -0.051873 0.627240 -0.179592 0.032 Uiso 1 1 calc R U . . .
 C10 C 0.27043(17) 0.61364(6) 0.45723(15) 0.0271(3) Uani 1 1 d . . . . .
 H10 H 0.175191 0.633287 0.382015 0.032 Uiso 1 1 calc R U . . .
 C1 C 0.70561(16) 0.56408(6) 0.51211(15) 0.0273(3) Uani 1 1 d . . . . .
 C14 C 0.55439(16) 0.57601(6) 0.54002(14) 0.0253(3) Uani 1 1 d . . . . .
 C21 C 0.18445(16) 0.55440(6) 0.00489(15) 0.0276(3) Uani 1 1 d . . . . .
 H21A H 0.301246 0.547173 0.023181 0.041 Uiso 1 1 calc R U . . .
 H21B H 0.112042 0.541408 -0.102240 0.041 Uiso 1 1 calc R U . . .
 H21C H 0.156928 0.531475 0.081964 0.041 Uiso 1 1 calc R U . . .
 C3 C 0.84056(16) 0.57029(6) 0.32224(17) 0.0310(3) Uani 1 1 d . . . . .
 H3 H 0.933206 0.548983 0.396150 0.037 Uiso 1 1 calc R U . . .
 C19 C 0.09233(17) 0.74159(6) 0.05538(17) 0.0299(3) Uani 1 1 d . . . . .
 H19 H 0.068723 0.782672 0.067315 0.036 Uiso 1 1 calc R U . . .
 C5 C 0.70721(17) 0.62019(6) 0.07148(16) 0.0305(3) Uani 1 1 d . . . . .
 H5 H 0.710463 0.633649 -0.024893 0.037 Uiso 1 1 calc R U . . .
 C11 C 0.26812(19) 0.59392(6) 0.59818(16) 0.0322(3) Uani 1 1 d . . . . .
 H11 H 0.170982 0.599683 0.618525 0.039 Uiso 1 1 calc R U . . .
 C18 C -0.01530(17) 0.70975(6) -0.07547(16) 0.0302(3) Uani 1 1 d . . . . .
 C13 C 0.54854(19) 0.55730(6) 0.68212(15) 0.0317(3) Uani 1 1 d . . . . .
 H13 H 0.643522 0.538549 0.760135 0.038 Uiso 1 1 calc R U . . .
 C4 C 0.84297(17) 0.58867(7) 0.18064(18) 0.0334(3) Uani 1 1 d . . . . .
 H4 H 0.936865 0.579926 0.157186 0.040 Uiso 1 1 calc R U . . .
 C12 C 0.4075(2) 0.56559(7) 0.71091(16) 0.0345(3) Uani 1 1 d . . . . .
 H12 H 0.404929 0.552043 0.807501 0.041 Uiso 1 1 calc R U . . .
 C23 C 0.34894(19) 0.75249(6) 0.30664(17) 0.0334(3) Uani 1 1 d . . . . .
 H23A H 0.343931 0.738056 0.404931 0.050 Uiso 1 1 calc R U . . .
 H23B H 0.313905 0.794824 0.289677 0.050 Uiso 1 1 calc R U . . .
 H23C H 0.463488 0.748961 0.314102 0.050 Uiso 1 1 calc R U . . .
 C22 C -0.1667(2) 0.73995(8) -0.1986(2) 0.0430(4) Uani 1 1 d . . . . .
 H22A H -0.133464 0.762257 -0.272898 0.065 Uiso 1 1 calc R U . . .
 H22B H -0.215312 0.767930 -0.146556 0.065 Uiso 1 1 calc R U . . .
 H22C H -0.249364 0.709241 -0.255995 0.065 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
 O1 C1 1.2395(16) . ?
 C15 C8 1.4956(16) . ?
 C15 C16 1.4091(17) . ?
 C15 C20 1.4065(17) . ?
 C7 C8 1.4284(17) . ?
 C7 C6 1.4167(17) . ?
 C7 C2 1.4236(17) . ?
 C8 C9 1.4285(16) . ?
 C16 C17 1.3969(17) . ?
 C16 C21 1.5069(18) . ?
 C9 C10 1.4179(18) . ?
 C9 C14 1.4238(17) . ?
 C6 H6 0.9500 . ?
 C6 C5 1.3750(19) . ?
 C2 C1 1.4709(18) . ?
 C2 C3 1.4014(18) . ?
 C20 C19 1.3986(18) . ?
 C20 C23 1.5078(18) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.391(2) . ?
 C10 H10 0.9500 . ?
 C10 C11 1.3810(18) . ?
 C1 C14 1.4703(19) . ?
 C14 C13 1.3968(18) . ?
 C21 H21A 0.9800 . ?
 C21 H21B 0.9800 . ?
 C21 H21C 0.9800 . ?
 C3 H3 0.9500 . ?
 C3 C4 1.378(2) . ?
 C19 H19 0.9500 . ?
 C19 C18 1.390(2) . ?
 C5 H5 0.9500 . ?
 C5 C4 1.398(2) . ?
 C11 H11 0.9500 . ?
 C11 C12 1.395(2) . ?
 C18 C22 1.5125(19) . ?
 C13 H13 0.9500 . ?
 C13 C12 1.375(2) . ?
 C4 H4 0.9500 . ?
 C12 H12 0.9500 . ?
 C23 H23A 0.9800 . ?
 C23 H23B 0.9800 . ?
 C23 H23C 0.9800 . ?
 C22 H22A 0.9800 . ?
 C22 H22B 0.9800 . ?
 C22 H22C 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
 C16 C15 C8 120.04(11) . . ?
 C20 C15 C8 120.22(11) . . ?
 C20 C15 C16 119.74(11) . . ?
 C6 C7 C8 121.07(11) . . ?
 C6 C7 C2 117.72(11) . . ?
 C2 C7 C8 121.20(11) . . ?
 C7 C8 C15 120.07(10) . . ?
 C7 C8 C9 119.57(11) . . ?
 C9 C8 C15 120.35(11) . . ?
 C15 C16 C21 121.55(11) . . ?
 C17 C16 C15 119.33(12) . . ?
 C17 C16 C21 119.07(11) . . ?
 C10 C9 C8 121.37(11) . . ?
 C10 C9 C14 117.97(11) . . ?
 C14 C9 C8 120.66(11) . . ?
 C7 C6 H6 119.5 . . ?
 C5 C6 C7 121.10(12) . . ?
 C5 C6 H6 119.5 . . ?
 C7 C2 C1 120.57(11) . . ?
 C3 C2 C7 120.04(12) . . ?
 C3 C2 C1 119.39(12) . . ?
 C15 C20 C23 121.57(12) . . ?
 C19 C20 C15 118.95(12) . . ?
 C19 C20 C23 119.49(12) . . ?
 C16 C17 H17 119.2 . . ?
 C18 C17 C16 121.66(12) . . ?
 C18 C17 H17 119.2 . . ?
 C9 C10 H10 119.6 . . ?
 C11 C10 C9 120.78(13) . . ?
 C11 C10 H10 119.6 . . ?
 O1 C1 C2 121.52(13) . . ?
 O1 C1 C14 121.68(12) . . ?
 C14 C1 C2 116.80(11) . . ?
 C9 C14 C1 121.14(11) . . ?
 C13 C14 C9 119.76(12) . . ?
 C13 C14 C1 119.09(12) . . ?
 C16 C21 H21A 109.5 . . ?
 C16 C21 H21B 109.5 . . ?
 C16 C21 H21C 109.5 . . ?
 H21A C21 H21B 109.5 . . ?
 H21A C21 H21C 109.5 . . ?
 H21B C21 H21C 109.5 . . ?
 C2 C3 H3 119.7 . . ?
 C4 C3 C2 120.60(13) . . ?
 C4 C3 H3 119.7 . . ?
 C20 C19 H19 119.0 . . ?
 C18 C19 C20 122.05(13) . . ?
 C18 C19 H19 119.0 . . ?
 C6 C5 H5 119.8 . . ?
 C6 C5 C4 120.49(12) . . ?
 C4 C5 H5 119.8 . . ?
 C10 C11 H11 119.8 . . ?
 C10 C11 C12 120.46(13) . . ?
 C12 C11 H11 119.8 . . ?
 C17 C18 C22 120.91(13) . . ?
 C19 C18 C17 118.26(12) . . ?
 C19 C18 C22 120.83(13) . . ?
 C14 C13 H13 119.5 . . ?
 C12 C13 C14 121.07(13) . . ?
 C12 C13 H13 119.5 . . ?
 C3 C4 C5 119.99(12) . . ?
 C3 C4 H4 120.0 . . ?
 C5 C4 H4 120.0 . . ?
 C11 C12 H12 120.0 . . ?
 C13 C12 C11 119.96(12) . . ?
 C13 C12 H12 120.0 . . ?
 C20 C23 H23A 109.5 . . ?
 C20 C23 H23B 109.5 . . ?
 C20 C23 H23C 109.5 . . ?
 H23A C23 H23B 109.5 . . ?
 H23A C23 H23C 109.5 . . ?
 H23B C23 H23C 109.5 . . ?
 C18 C22 H22A 109.5 . . ?
 C18 C22 H22B 109.5 . . ?
 C18 C22 H22C 109.5 . . ?
 H22A C22 H22B 109.5 . . ?
 H22A C22 H22C 109.5 . . ?
 H22B C22 H22C 109.5 . . ?

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 C1 C14 C9 178.88(12) . . . . ?
 O1 C1 C14 C13 -2.6(2) . . . . ?
 C15 C8 C9 C10 0.38(18) . . . . ?
 C15 C8 C9 C14 179.67(11) . . . . ?
 C15 C16 C17 C18 -1.00(18) . . . . ?
 C15 C20 C19 C18 -1.59(19) . . . . ?
 C7 C8 C9 C10 -178.88(11) . . . . ?
 C7 C8 C9 C14 0.41(17) . . . . ?
 C7 C6 C5 C4 0.9(2) . . . . ?
 C7 C2 C1 O1 -177.03(12) . . . . ?
 C7 C2 C1 C14 2.51(18) . . . . ?
 C7 C2 C3 C4 1.8(2) . . . . ?
 C8 C15 C16 C17 -179.89(11) . . . . ?
 C8 C15 C16 C21 2.63(17) . . . . ?
 C8 C15 C20 C19 -178.85(11) . . . . ?
 C8 C15 C20 C23 1.41(18) . . . . ?
 C8 C7 C6 C5 -178.23(11) . . . . ?
 C8 C7 C2 C1 -2.98(18) . . . . ?
 C8 C7 C2 C3 176.89(11) . . . . ?
 C8 C9 C10 C11 178.46(12) . . . . ?
 C8 C9 C14 C1 -0.77(18) . . . . ?
 C8 C9 C14 C13 -179.26(11) . . . . ?
 C16 C15 C8 C7 77.59(15) . . . . ?
 C16 C15 C8 C9 -101.67(14) . . . . ?
 C16 C15 C20 C19 1.15(18) . . . . ?
 C16 C15 C20 C23 -178.58(12) . . . . ?
 C16 C17 C18 C19 0.60(19) . . . . ?
 C16 C17 C18 C22 -179.47(12) . . . . ?
 C9 C10 C11 C12 0.7(2) . . . . ?
 C9 C14 C13 C12 0.9(2) . . . . ?
 C6 C7 C8 C15 1.50(17) . . . . ?
 C6 C7 C8 C9 -179.23(11) . . . . ?
 C6 C7 C2 C1 177.71(11) . . . . ?
 C6 C7 C2 C3 -2.42(18) . . . . ?
 C6 C5 C4 C3 -1.5(2) . . . . ?
 C2 C7 C8 C15 -177.79(11) . . . . ?
 C2 C7 C8 C9 1.48(17) . . . . ?
 C2 C7 C6 C5 1.08(18) . . . . ?
 C2 C1 C14 C9 -0.67(18) . . . . ?
 C2 C1 C14 C13 177.83(11) . . . . ?
 C2 C3 C4 C5 0.2(2) . . . . ?
 C20 C15 C8 C7 -102.40(14) . . . . ?
 C20 C15 C8 C9 78.33(15) . . . . ?
 C20 C15 C16 C17 0.10(17) . . . . ?
 C20 C15 C16 C21 -177.38(11) . . . . ?
 C20 C19 C18 C17 0.7(2) . . . . ?
 C20 C19 C18 C22 -179.21(13) . . . . ?
 C10 C9 C14 C1 178.54(11) . . . . ?
 C10 C9 C14 C13 0.05(18) . . . . ?
 C10 C11 C12 C13 0.2(2) . . . . ?
 C1 C2 C3 C4 -178.29(12) . . . . ?
 C1 C14 C13 C12 -177.66(12) . . . . ?
 C14 C9 C10 C11 -0.85(19) . . . . ?
 C14 C13 C12 C11 -1.0(2) . . . . ?
 C21 C16 C17 C18 176.54(12) . . . . ?
 C3 C2 C1 O1 3.1(2) . . . . ?
 C3 C2 C1 C14 -177.36(11) . . . . ?
 C23 C20 C19 C18 178.15(12) . . . . ?

_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  1.359
_oxdiff_exptl_absorpt_empirical_full_min  0.601
