# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_cxy1738_0m
_database_code_depnum_ccdc_archive 'CCDC 2156742'
loop_
_audit_author_name
_audit_author_address
'Jun WANG'
;Hong Kong Baptist University
China
;
_audit_update_record             
;
2022-03-07 deposited with the CCDC.	2022-09-13 downloaded from the CCDC.
;
_audit_creation_date             2021-06-30
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H19 N O'
_chemical_formula_sum            'C25 H19 N O'
_chemical_formula_weight         349.41
_chemical_absolute_configuration ad
_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'
N N 0.0311 0.0180 '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                   8.5649(3)
_cell_length_b                   10.4376(3)
_cell_length_c                   9.9968(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.4180(10)
_cell_angle_gamma                90
_cell_volume                     884.06(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9895
_cell_measurement_temperature    100
_cell_measurement_theta_max      68.48
_cell_measurement_theta_min      4.24
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.619
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.7052
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0750 before and 0.0447 after correction.
The Ratio of minimum to maximum transmission is 0.9364.
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    1.313
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             368
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_unetI/netI     0.0203
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            15418
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.476
_diffrn_reflns_theta_min         4.471
_diffrn_ambient_temperature      100
_diffrn_detector                 'Bruker CMOS area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.875
_reflns_Friedel_fraction_full    0.984
_reflns_Friedel_fraction_max     0.982
_reflns_number_gt                3197
_reflns_number_total             3227
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.184
_refine_diff_density_min         -0.141
_refine_diff_density_rms         0.037
_refine_ls_abs_structure_details 
;
 Flack x determined using 1478 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.02(6)
_refine_ls_extinction_coef       0.031(2)
_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   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         3227
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0251
_refine_ls_restrained_S_all      1.070
_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)+(0.0360P)²+0.1437P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0642
_refine_ls_wR_factor_ref         0.0644
_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:
 C18(H18A,H18B)
2.b Aromatic/amide H refined with riding coordinates:
 C13(H13), C24(H24), C7(H7), C9(H9), C12(H12), C23(H23), C21(H21), C17(H17),
 C6(H6), C5(H5), C14(H14), C22(H22), C15(H15), C16(H16)
2.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C)
;
_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 0.76899(13) 0.50748(12) 0.67482(12) 0.0222(3) Uani 1 1 d . . . . .
N1 N 0.32952(15) 0.51646(13) 0.59560(13) 0.0153(3) Uani 1 1 d . . . . .
C20 C 0.63256(19) 0.60322(16) 0.47019(17) 0.0160(3) Uani 1 1 d . . . . .
C4 C 0.21213(18) 0.43242(15) 0.60207(17) 0.0157(3) Uani 1 1 d . . . . .
C3 C 0.41905(19) 0.55545(15) 0.70923(16) 0.0156(3) Uani 1 1 d . . . . .
C13 C 0.03121(19) 0.28178(16) 0.45124(17) 0.0172(3) Uani 1 1 d . . . . .
H13 H 0.028864 0.225630 0.525707 0.021 Uiso 1 1 calc R U . . .
C19 C 0.51627(19) 0.69656(15) 0.44627(17) 0.0159(3) Uani 1 1 d . . . . .
C10 C 0.03520(19) 0.44934(16) 0.23201(17) 0.0161(3) Uani 1 1 d . . . . .
C1 C 0.66794(19) 0.57808(16) 0.61677(17) 0.0169(3) Uani 1 1 d . . . . .
C8 C 0.11955(18) 0.39749(15) 0.46966(17) 0.0154(3) Uani 1 1 d . . . . .
C24 C 0.4542(2) 0.72904(16) 0.31451(17) 0.0194(4) Uani 1 1 d . . . . .
H24 H 0.374358 0.792505 0.296820 0.023 Uiso 1 1 calc R U . . .
C7 C 0.39680(19) 0.50872(17) 0.83591(16) 0.0185(4) Uani 1 1 d . . . . .
H7 H 0.464291 0.534314 0.915400 0.022 Uiso 1 1 calc R U . . .
C9 C 0.12102(18) 0.47791(16) 0.36047(17) 0.0160(3) Uani 1 1 d . . . . .
H9 H 0.181285 0.554582 0.371774 0.019 Uiso 1 1 calc R U . . .
C12 C -0.05040(19) 0.25041(16) 0.32753(18) 0.0178(4) Uani 1 1 d . . . . .
H12 H -0.106818 0.171825 0.317048 0.021 Uiso 1 1 calc R U . . .
C23 C 0.5119(2) 0.66634(18) 0.20892(18) 0.0223(4) Uani 1 1 d . . . . .
H23 H 0.468846 0.686154 0.118241 0.027 Uiso 1 1 calc R U . . .
C21 C 0.6939(2) 0.54249(16) 0.36558(17) 0.0189(4) Uani 1 1 d . . . . .
H21 H 0.775775 0.480774 0.383813 0.023 Uiso 1 1 calc R U . . .
C17 C 0.03407(19) 0.53234(17) 0.11992(17) 0.0190(4) Uani 1 1 d . . . . .
H17 H 0.092348 0.610036 0.130397 0.023 Uiso 1 1 calc R U . . .
C11 C -0.05234(19) 0.33275(16) 0.21503(17) 0.0166(3) Uani 1 1 d . . . . .
C6 C 0.2733(2) 0.42379(17) 0.84261(17) 0.0201(4) Uani 1 1 d . . . . .
H6 H 0.254013 0.391973 0.927709 0.024 Uiso 1 1 calc R U . . .
C18 C 0.4757(2) 0.75066(16) 0.57633(17) 0.0172(3) Uani 1 1 d . . . . .
H18A H 0.359868 0.757700 0.572911 0.021 Uiso 1 1 calc R U . . .
H18B H 0.523313 0.836497 0.594313 0.021 Uiso 1 1 calc R U . . .
C5 C 0.1787(2) 0.38563(16) 0.72571(18) 0.0189(4) Uani 1 1 d . . . . .
H5 H 0.092781 0.328793 0.729215 0.023 Uiso 1 1 calc R U . . .
C2 C 0.54587(19) 0.65364(16) 0.68650(17) 0.0169(4) Uani 1 1 d . . . . .
C14 C -0.1387(2) 0.30462(17) 0.08598(18) 0.0202(4) Uani 1 1 d . . . . .
H14 H -0.198024 0.227562 0.073280 0.024 Uiso 1 1 calc R U . . .
C22 C 0.6321(2) 0.57461(17) 0.23373(17) 0.0216(4) Uani 1 1 d . . . . .
H22 H 0.671294 0.534353 0.160174 0.026 Uiso 1 1 calc R U . . .
C25 C 0.6240(2) 0.71742(18) 0.81720(17) 0.0228(4) Uani 1 1 d . . . . .
H25A H 0.543788 0.762126 0.860086 0.034 Uiso 1 1 calc R U . . .
H25B H 0.703336 0.779043 0.796253 0.034 Uiso 1 1 calc R U . . .
H25C H 0.675078 0.651922 0.878948 0.034 Uiso 1 1 calc R U . . .
C15 C -0.1374(2) 0.38706(18) -0.02021(18) 0.0220(4) Uani 1 1 d . . . . .
H15 H -0.195869 0.366747 -0.105831 0.026 Uiso 1 1 calc R U . . .
C16 C -0.0499(2) 0.50227(18) -0.00359(17) 0.0213(4) Uani 1 1 d . . . . .
H16 H -0.049292 0.558831 -0.077961 0.026 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 1.217(2) . ?
N1 C4 1.343(2) . ?
N1 C3 1.338(2) . ?
C20 C19 1.389(2) . ?
C20 C1 1.476(2) . ?
C20 C21 1.390(2) . ?
C4 C8 1.485(2) . ?
C4 C5 1.397(2) . ?
C3 C7 1.396(2) . ?
C3 C2 1.534(2) . ?
C13 H13 0.9500 . ?
C13 C8 1.423(2) . ?
C13 C12 1.368(2) . ?
C19 C24 1.388(2) . ?
C19 C18 1.504(2) . ?
C10 C9 1.415(2) . ?
C10 C17 1.415(2) . ?
C10 C11 1.426(2) . ?
C1 C2 1.554(2) . ?
C8 C9 1.378(2) . ?
C24 H24 0.9500 . ?
C24 C23 1.392(3) . ?
C7 H7 0.9500 . ?
C7 C6 1.389(2) . ?
C9 H9 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.414(2) . ?
C23 H23 0.9500 . ?
C23 C22 1.401(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.388(2) . ?
C17 H17 0.9500 . ?
C17 C16 1.371(2) . ?
C11 C14 1.421(2) . ?
C6 H6 0.9500 . ?
C6 C5 1.380(2) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C2 1.551(2) . ?
C5 H5 0.9500 . ?
C2 C25 1.531(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.368(3) . ?
C22 H22 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C15 H15 0.9500 . ?
C15 C16 1.414(3) . ?
C16 H16 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
C3 N1 C4 119.87(14) . . ?
C19 C20 C1 109.49(15) . . ?
C19 C20 C21 122.06(16) . . ?
C21 C20 C1 128.36(16) . . ?
N1 C4 C8 115.03(14) . . ?
N1 C4 C5 121.52(15) . . ?
C5 C4 C8 123.42(15) . . ?
N1 C3 C7 121.78(15) . . ?
N1 C3 C2 114.07(14) . . ?
C7 C3 C2 124.15(14) . . ?
C8 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C12 C13 C8 120.78(16) . . ?
C20 C19 C18 111.42(14) . . ?
C24 C19 C20 120.00(15) . . ?
C24 C19 C18 128.58(15) . . ?
C9 C10 C11 118.82(15) . . ?
C17 C10 C9 122.14(16) . . ?
C17 C10 C11 119.04(15) . . ?
O1 C1 C20 127.54(16) . . ?
O1 C1 C2 124.85(15) . . ?
C20 C1 C2 107.54(14) . . ?
C13 C8 C4 121.88(15) . . ?
C9 C8 C4 119.38(15) . . ?
C9 C8 C13 118.73(15) . . ?
C19 C24 H24 120.8 . . ?
C19 C24 C23 118.39(16) . . ?
C23 C24 H24 120.8 . . ?
C3 C7 H7 120.9 . . ?
C6 C7 C3 118.22(15) . . ?
C6 C7 H7 120.9 . . ?
C10 C9 H9 119.1 . . ?
C8 C9 C10 121.78(15) . . ?
C8 C9 H9 119.1 . . ?
C13 C12 H12 119.4 . . ?
C13 C12 C11 121.24(16) . . ?
C11 C12 H12 119.4 . . ?
C24 C23 H23 119.3 . . ?
C24 C23 C22 121.32(16) . . ?
C22 C23 H23 119.3 . . ?
C20 C21 H21 121.0 . . ?
C22 C21 C20 118.08(16) . . ?
C22 C21 H21 121.0 . . ?
C10 C17 H17 119.5 . . ?
C16 C17 C10 120.98(17) . . ?
C16 C17 H17 119.5 . . ?
C12 C11 C10 118.64(15) . . ?
C12 C11 C14 122.74(16) . . ?
C14 C11 C10 118.63(16) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 C7 120.01(15) . . ?
C5 C6 H6 120.0 . . ?
C19 C18 H18A 110.8 . . ?
C19 C18 H18B 110.8 . . ?
C19 C18 C2 104.71(13) . . ?
H18A C18 H18B 108.9 . . ?
C2 C18 H18A 110.8 . . ?
C2 C18 H18B 110.8 . . ?
C4 C5 H5 120.7 . . ?
C6 C5 C4 118.52(15) . . ?
C6 C5 H5 120.7 . . ?
C3 C2 C1 105.36(13) . . ?
C3 C2 C18 109.39(13) . . ?
C18 C2 C1 103.25(13) . . ?
C25 C2 C3 113.26(14) . . ?
C25 C2 C1 111.39(14) . . ?
C25 C2 C18 113.44(14) . . ?
C11 C14 H14 119.6 . . ?
C15 C14 C11 120.84(17) . . ?
C15 C14 H14 119.6 . . ?
C23 C22 H22 119.9 . . ?
C21 C22 C23 120.10(15) . . ?
C21 C22 H22 119.9 . . ?
C2 C25 H25A 109.5 . . ?
C2 C25 H25B 109.5 . . ?
C2 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C14 C15 H15 119.7 . . ?
C14 C15 C16 120.53(16) . . ?
C16 C15 H15 119.7 . . ?
C17 C16 C15 119.98(16) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 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 C1 C2 C3 -78.55(19) . . . . ?
O1 C1 C2 C18 166.72(16) . . . . ?
O1 C1 C2 C25 44.6(2) . . . . ?
N1 C4 C8 C13 157.82(15) . . . . ?
N1 C4 C8 C9 -21.0(2) . . . . ?
N1 C4 C5 C6 -2.5(2) . . . . ?
N1 C3 C7 C6 -2.9(2) . . . . ?
N1 C3 C2 C1 -69.83(16) . . . . ?
N1 C3 C2 C18 40.58(18) . . . . ?
N1 C3 C2 C25 168.19(14) . . . . ?
C20 C19 C24 C23 -0.2(2) . . . . ?
C20 C19 C18 C2 -15.71(18) . . . . ?
C20 C1 C2 C3 98.70(14) . . . . ?
C20 C1 C2 C18 -16.03(16) . . . . ?
C20 C1 C2 C25 -138.12(15) . . . . ?
C20 C21 C22 C23 0.3(2) . . . . ?
C4 N1 C3 C7 1.6(2) . . . . ?
C4 N1 C3 C2 -178.69(14) . . . . ?
C4 C8 C9 C10 179.93(14) . . . . ?
C3 N1 C4 C8 179.25(14) . . . . ?
C3 N1 C4 C5 1.1(2) . . . . ?
C3 C7 C6 C5 1.4(2) . . . . ?
C13 C8 C9 C10 1.1(2) . . . . ?
C13 C12 C11 C10 1.1(2) . . . . ?
C13 C12 C11 C14 -178.53(16) . . . . ?
C19 C20 C1 O1 -175.76(16) . . . . ?
C19 C20 C1 C2 7.09(18) . . . . ?
C19 C20 C21 C22 -2.0(2) . . . . ?
C19 C24 C23 C22 -1.4(3) . . . . ?
C19 C18 C2 C3 -93.22(15) . . . . ?
C19 C18 C2 C1 18.58(16) . . . . ?
C19 C18 C2 C25 139.27(14) . . . . ?
C10 C17 C16 C15 0.2(3) . . . . ?
C10 C11 C14 C15 0.4(2) . . . . ?
C1 C20 C19 C24 -174.86(15) . . . . ?
C1 C20 C19 C18 5.54(18) . . . . ?
C1 C20 C21 C22 174.20(16) . . . . ?
C8 C4 C5 C6 179.54(16) . . . . ?
C8 C13 C12 C11 -1.3(2) . . . . ?
C24 C19 C18 C2 164.73(17) . . . . ?
C24 C23 C22 C21 1.4(3) . . . . ?
C7 C3 C2 C1 109.86(17) . . . . ?
C7 C3 C2 C18 -139.73(16) . . . . ?
C7 C3 C2 C25 -12.1(2) . . . . ?
C7 C6 C5 C4 1.1(2) . . . . ?
C9 C10 C17 C16 179.89(15) . . . . ?
C9 C10 C11 C12 0.2(2) . . . . ?
C9 C10 C11 C14 179.83(15) . . . . ?
C12 C13 C8 C4 -178.58(14) . . . . ?
C12 C13 C8 C9 0.2(2) . . . . ?
C12 C11 C14 C15 179.94(16) . . . . ?
C21 C20 C19 C24 2.0(2) . . . . ?
C21 C20 C19 C18 -177.61(14) . . . . ?
C21 C20 C1 O1 7.7(3) . . . . ?
C21 C20 C1 C2 -169.50(16) . . . . ?
C17 C10 C9 C8 178.98(15) . . . . ?
C17 C10 C11 C12 179.95(15) . . . . ?
C17 C10 C11 C14 -0.5(2) . . . . ?
C11 C10 C9 C8 -1.3(2) . . . . ?
C11 C10 C17 C16 0.2(2) . . . . ?
C11 C14 C15 C16 0.0(3) . . . . ?
C18 C19 C24 C23 179.29(16) . . . . ?
C5 C4 C8 C13 -24.1(2) . . . . ?
C5 C4 C8 C9 157.11(16) . . . . ?
C2 C3 C7 C6 177.47(15) . . . . ?
C14 C15 C16 C17 -0.3(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
