# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# 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_cxy1685_0m
_database_code_depnum_ccdc_archive 'CCDC 2183309'
loop_
_audit_author_name
_audit_author_address
'Pengfei Li'
;Southern University of Science and Technology
China
;
_audit_update_record             
;
2022-07-01 deposited with the CCDC.	2022-07-21 downloaded from the CCDC.
;
_audit_creation_date             2021-04-30
_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         'C32 H20 Cl N O3'
_chemical_formula_sum            'C32 H20 Cl N O3'
_chemical_formula_weight         501.94
_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'
Cl Cl 0.1484 0.1585 '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      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                   14.9392(6)
_cell_length_b                   10.0969(4)
_cell_length_c                   17.2076(7)
_cell_angle_alpha                90
_cell_angle_beta                 111.7150(10)
_cell_angle_gamma                90
_cell_volume                     2411.39(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9963
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.195
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7106
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0873 before and 0.0587 after correction.
The Ratio of minimum to maximum transmission is 0.9529.
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    1.383
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.24
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0997
_diffrn_reflns_av_unetI/netI     0.0749
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            34701
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.347
_diffrn_reflns_theta_min         2.386
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.999
_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           MoK\a
_diffrn_radiation_wavelength     0.71073
_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         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3809
_reflns_number_total             6008
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.537
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.058
_refine_ls_extinction_coef       0.0025(6)
_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   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         6008
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1033
_refine_ls_R_factor_gt           0.0484
_refine_ls_restrained_S_all      1.043
_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)+(0.0546P)²+0.5486P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1094
_refine_ls_wR_factor_ref         0.1249
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N1(H1), C1(H1A), C4(H4), C7(H7), C10(H10), C11(H11), C13(H13), C14(H14),
 C15(H15), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C26(H26), C27(H27),
  C28(H28), C29(H29), C31(H31), C32(H32)
;
_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
Cl1 Cl 0.28780(4) 0.34731(8) -0.04738(3) 0.0549(2) Uani 1 1 d . . . . .
O1 O 0.80879(8) 0.43256(12) 0.39448(7) 0.0169(3) Uani 1 1 d . . . . .
O2 O 0.47265(10) 0.46734(16) 0.32675(9) 0.0326(4) Uani 1 1 d . . . . .
O3 O 0.56699(9) 0.40291(15) 0.45238(8) 0.0281(3) Uani 1 1 d . . . . .
N1 N 0.70991(12) 0.99296(16) 0.30693(11) 0.0260(4) Uani 1 1 d . . . . .
H1 H 0.657951 0.996711 0.261014 0.031 Uiso 1 1 calc R U . . .
C1 C 0.82915(15) 1.0564(2) 0.42430(14) 0.0294(5) Uani 1 1 d . . . . .
H1A H 0.869179 1.109545 0.469308 0.035 Uiso 1 1 calc R U . . .
C2 C 0.84205(13) 0.91892(19) 0.41114(12) 0.0212(4) Uani 1 1 d . . . . .
C3 C 0.76530(13) 0.88271(18) 0.33696(12) 0.0196(4) Uani 1 1 d . . . . .
C4 C 0.75178(12) 0.75380(18) 0.30611(11) 0.0174(4) Uani 1 1 d . . . . .
H4 H 0.699469 0.732032 0.256066 0.021 Uiso 1 1 calc R U . . .
C5 C 0.81711(12) 0.65837(18) 0.35078(11) 0.0161(4) Uani 1 1 d . . . . .
C6 C 0.80660(12) 0.51388(18) 0.32226(11) 0.0155(4) Uani 1 1 d . . . . .
C7 C 0.71313(13) 0.48771(17) 0.25033(11) 0.0161(4) Uani 1 1 d . . . . .
H7 H 0.711930 0.490968 0.194780 0.019 Uiso 1 1 calc R U . . .
C8 C 0.63210(13) 0.46011(17) 0.26266(11) 0.0160(4) Uani 1 1 d . . . . .
C9 C 0.54138(12) 0.43590(18) 0.18928(11) 0.0173(4) Uani 1 1 d . . . . .
C10 C 0.50741(14) 0.5316(2) 0.12683(12) 0.0250(4) Uani 1 1 d . . . . .
H10 H 0.538811 0.615016 0.133749 0.030 Uiso 1 1 calc R U . . .
C11 C 0.42792(15) 0.5059(2) 0.05448(13) 0.0320(5) Uani 1 1 d . . . . .
H11 H 0.404167 0.571845 0.012435 0.038 Uiso 1 1 calc R U . . .
C12 C 0.38401(14) 0.3838(2) 0.04447(12) 0.0293(5) Uani 1 1 d . . . . .
C13 C 0.74878(15) 1.0963(2) 0.36018(13) 0.0300(5) Uani 1 1 d . . . . .
H13 H 0.723159 1.183570 0.353254 0.036 Uiso 1 1 calc R U . . .
C14 C 0.90759(13) 0.8212(2) 0.45443(12) 0.0236(4) Uani 1 1 d . . . . .
H14 H 0.960242 0.842756 0.504268 0.028 Uiso 1 1 calc R U . . .
C15 C 0.89548(13) 0.69306(19) 0.42441(12) 0.0215(4) Uani 1 1 d . . . . .
H15 H 0.940586 0.626948 0.453727 0.026 Uiso 1 1 calc R U . . .
C16 C 0.89365(13) 0.46843(18) 0.30326(11) 0.0174(4) Uani 1 1 d . . . . .
C17 C 0.95861(13) 0.37543(19) 0.35152(12) 0.0206(4) Uani 1 1 d . . . . .
H17 H 0.948635 0.335396 0.397624 0.025 Uiso 1 1 calc R U . . .
C18 C 1.03850(14) 0.34029(19) 0.33278(12) 0.0228(4) Uani 1 1 d . . . . .
H18 H 1.084197 0.279235 0.367619 0.027 Uiso 1 1 calc R U . . .
C19 C 1.05176(14) 0.3935(2) 0.26398(13) 0.0276(5) Uani 1 1 d . . . . .
H19 H 1.105377 0.367460 0.250484 0.033 Uiso 1 1 calc R U . . .
C20 C 0.98610(15) 0.4855(2) 0.21458(13) 0.0282(5) Uani 1 1 d . . . . .
H20 H 0.994463 0.522165 0.166863 0.034 Uiso 1 1 calc R U . . .
C21 C 0.90867(14) 0.5237(2) 0.23490(12) 0.0240(4) Uani 1 1 d . . . . .
H21 H 0.865053 0.588470 0.201793 0.029 Uiso 1 1 calc R U . . .
C22 C 0.72757(13) 0.42498(17) 0.41019(11) 0.0156(4) Uani 1 1 d . . . . .
C23 C 0.63816(12) 0.44279(18) 0.34922(11) 0.0165(4) Uani 1 1 d . . . . .
C24 C 0.55432(14) 0.4395(2) 0.37197(12) 0.0222(4) Uani 1 1 d . . . . .
C25 C 0.65661(14) 0.37547(19) 0.51160(12) 0.0221(4) Uani 1 1 d . . . . .
C26 C 0.66047(16) 0.3352(2) 0.59016(13) 0.0295(5) Uani 1 1 d . . . . .
H26 H 0.603289 0.327776 0.601825 0.035 Uiso 1 1 calc R U . . .
C27 C 0.74838(16) 0.3066(2) 0.65021(13) 0.0305(5) Uani 1 1 d . . . . .
H27 H 0.751787 0.279230 0.704053 0.037 Uiso 1 1 calc R U . . .
C28 C 0.83278(15) 0.31655(19) 0.63433(12) 0.0270(5) Uani 1 1 d . . . . .
H28 H 0.892948 0.294985 0.676733 0.032 Uiso 1 1 calc R U . . .
C29 C 0.82885(13) 0.35795(18) 0.55666(11) 0.0196(4) Uani 1 1 d . . . . .
H29 H 0.886495 0.366917 0.545873 0.024 Uiso 1 1 calc R U . . .
C30 C 0.73959(13) 0.38672(17) 0.49372(11) 0.0179(4) Uani 1 1 d . . . . .
C31 C 0.49357(13) 0.31467(19) 0.17864(12) 0.0214(4) Uani 1 1 d . . . . .
H31 H 0.514724 0.249956 0.221695 0.026 Uiso 1 1 calc R U . . .
C32 C 0.41544(14) 0.2876(2) 0.10583(12) 0.0270(5) Uani 1 1 d . . . . .
H32 H 0.383967 0.204171 0.098234 0.032 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
Cl1 C12 1.7374(19) . ?
O1 C6 1.480(2) . ?
O1 C22 1.339(2) . ?
O2 C24 1.213(2) . ?
O3 C24 1.376(2) . ?
O3 C25 1.378(2) . ?
N1 H1 0.8800 . ?
N1 C3 1.369(2) . ?
N1 C13 1.369(2) . ?
C1 H1A 0.9500 . ?
C1 C2 1.431(3) . ?
C1 C13 1.357(3) . ?
C2 C3 1.412(2) . ?
C2 C14 1.396(3) . ?
C3 C4 1.392(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.384(2) . ?
C5 C6 1.529(2) . ?
C5 C15 1.415(2) . ?
C6 C7 1.508(2) . ?
C6 C16 1.524(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.333(2) . ?
C8 C9 1.491(2) . ?
C8 C23 1.469(2) . ?
C9 C10 1.394(3) . ?
C9 C31 1.395(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.391(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.377(3) . ?
C12 C32 1.382(3) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C14 C15 1.380(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.384(2) . ?
C16 C21 1.393(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.393(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.379(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.390(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.381(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.371(2) . ?
C22 C30 1.434(2) . ?
C23 C24 1.444(3) . ?
C25 C26 1.392(3) . ?
C25 C30 1.388(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.368(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.389(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.381(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.402(2) . ?
C31 H31 0.9500 . ?
C31 C32 1.387(2) . ?
C32 H32 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
C22 O1 C6 117.46(13) . . ?
C24 O3 C25 122.15(15) . . ?
C3 N1 H1 125.7 . . ?
C13 N1 H1 125.7 . . ?
C13 N1 C3 108.66(16) . . ?
C2 C1 H1A 126.6 . . ?
C13 C1 H1A 126.6 . . ?
C13 C1 C2 106.86(18) . . ?
C3 C2 C1 106.40(17) . . ?
C14 C2 C1 135.27(18) . . ?
C14 C2 C3 118.30(17) . . ?
N1 C3 C2 107.81(16) . . ?
N1 C3 C4 129.36(17) . . ?
C4 C3 C2 122.79(17) . . ?
C3 C4 H4 121.1 . . ?
C5 C4 C3 117.78(17) . . ?
C5 C4 H4 121.1 . . ?
C4 C5 C6 121.23(16) . . ?
C4 C5 C15 120.32(17) . . ?
C15 C5 C6 118.45(16) . . ?
O1 C6 C5 106.99(13) . . ?
O1 C6 C7 108.55(14) . . ?
O1 C6 C16 104.93(14) . . ?
C7 C6 C5 112.63(14) . . ?
C7 C6 C16 112.07(15) . . ?
C16 C6 C5 111.21(14) . . ?
C6 C7 H7 119.1 . . ?
C8 C7 C6 121.71(16) . . ?
C8 C7 H7 119.1 . . ?
C7 C8 C9 119.58(16) . . ?
C7 C8 C23 117.86(16) . . ?
C23 C8 C9 122.32(16) . . ?
C10 C9 C8 119.79(17) . . ?
C10 C9 C31 118.98(17) . . ?
C31 C9 C8 121.05(16) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.52(19) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 120.4 . . ?
C12 C11 C10 119.23(19) . . ?
C12 C11 H11 120.4 . . ?
C11 C12 Cl1 119.93(17) . . ?
C11 C12 C32 121.46(18) . . ?
C32 C12 Cl1 118.60(17) . . ?
N1 C13 H13 124.9 . . ?
C1 C13 N1 110.26(18) . . ?
C1 C13 H13 124.9 . . ?
C2 C14 H14 120.2 . . ?
C15 C14 C2 119.62(17) . . ?
C15 C14 H14 120.2 . . ?
C5 C15 H15 119.4 . . ?
C14 C15 C5 121.18(17) . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C6 122.68(17) . . ?
C17 C16 C21 118.81(17) . . ?
C21 C16 C6 118.51(16) . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.30(18) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.46(18) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.2 . . ?
C18 C19 C20 119.51(19) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 119.95(19) . . ?
C21 C20 H20 120.0 . . ?
C16 C21 H21 119.5 . . ?
C20 C21 C16 120.91(19) . . ?
C20 C21 H21 119.5 . . ?
O1 C22 C23 122.47(16) . . ?
O1 C22 C30 115.52(15) . . ?
C23 C22 C30 121.84(17) . . ?
C22 C23 C8 117.94(16) . . ?
C22 C23 C24 119.11(17) . . ?
C24 C23 C8 122.91(16) . . ?
O2 C24 O3 116.03(17) . . ?
O2 C24 C23 126.03(18) . . ?
O3 C24 C23 117.93(16) . . ?
O3 C25 C26 117.17(17) . . ?
O3 C25 C30 121.53(17) . . ?
C30 C25 C26 121.31(18) . . ?
C25 C26 H26 120.7 . . ?
C27 C26 C25 118.57(19) . . ?
C27 C26 H26 120.7 . . ?
C26 C27 H27 119.2 . . ?
C26 C27 C28 121.58(19) . . ?
C28 C27 H27 119.2 . . ?
C27 C28 H28 120.1 . . ?
C29 C28 C27 119.72(19) . . ?
C29 C28 H28 120.1 . . ?
C28 C29 H29 120.1 . . ?
C28 C29 C30 119.87(18) . . ?
C30 C29 H29 120.1 . . ?
C25 C30 C22 116.95(17) . . ?
C25 C30 C29 118.94(17) . . ?
C29 C30 C22 124.09(17) . . ?
C9 C31 H31 119.7 . . ?
C32 C31 C9 120.68(18) . . ?
C32 C31 H31 119.7 . . ?
C12 C32 C31 119.07(19) . . ?
C12 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?

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
Cl1 C12 C32 C31 178.58(15) . . . . ?
O1 C6 C7 C8 32.8(2) . . . . ?
O1 C6 C16 C17 -3.4(2) . . . . ?
O1 C6 C16 C21 177.15(15) . . . . ?
O1 C22 C23 C8 5.0(3) . . . . ?
O1 C22 C23 C24 -176.99(16) . . . . ?
O1 C22 C30 C25 -178.80(16) . . . . ?
O1 C22 C30 C29 -0.1(3) . . . . ?
O3 C25 C26 C27 179.67(18) . . . . ?
O3 C25 C30 C22 -1.5(3) . . . . ?
O3 C25 C30 C29 179.75(17) . . . . ?
N1 C3 C4 C5 -177.34(19) . . . . ?
C1 C2 C3 N1 0.5(2) . . . . ?
C1 C2 C3 C4 -177.25(18) . . . . ?
C1 C2 C14 C15 177.0(2) . . . . ?
C2 C1 C13 N1 -0.2(3) . . . . ?
C2 C3 C4 C5 -0.1(3) . . . . ?
C2 C14 C15 C5 -0.6(3) . . . . ?
C3 N1 C13 C1 0.5(3) . . . . ?
C3 C2 C14 C15 -0.5(3) . . . . ?
C3 C4 C5 C6 178.86(16) . . . . ?
C3 C4 C5 C15 -1.1(3) . . . . ?
C4 C5 C6 O1 -127.07(17) . . . . ?
C4 C5 C6 C7 -7.9(2) . . . . ?
C4 C5 C6 C16 118.88(18) . . . . ?
C4 C5 C15 C14 1.4(3) . . . . ?
C5 C6 C7 C8 -85.4(2) . . . . ?
C5 C6 C16 C17 111.96(19) . . . . ?
C5 C6 C16 C21 -67.5(2) . . . . ?
C6 O1 C22 C23 25.6(2) . . . . ?
C6 O1 C22 C30 -159.14(14) . . . . ?
C6 C5 C15 C14 -178.47(18) . . . . ?
C6 C7 C8 C9 179.58(16) . . . . ?
C6 C7 C8 C23 -5.9(2) . . . . ?
C6 C16 C17 C18 -178.12(17) . . . . ?
C6 C16 C21 C20 -179.64(17) . . . . ?
C7 C6 C16 C17 -120.98(18) . . . . ?
C7 C6 C16 C21 59.5(2) . . . . ?
C7 C8 C9 C10 -56.2(2) . . . . ?
C7 C8 C9 C31 118.8(2) . . . . ?
C7 C8 C23 C22 -15.0(2) . . . . ?
C7 C8 C23 C24 167.08(17) . . . . ?
C8 C9 C10 C11 174.19(19) . . . . ?
C8 C9 C31 C32 -172.81(18) . . . . ?
C8 C23 C24 O2 -10.4(3) . . . . ?
C8 C23 C24 O3 170.33(16) . . . . ?
C9 C8 C23 C22 159.34(16) . . . . ?
C9 C8 C23 C24 -18.6(3) . . . . ?
C9 C10 C11 C12 -1.1(3) . . . . ?
C9 C31 C32 C12 -1.5(3) . . . . ?
C10 C9 C31 C32 2.2(3) . . . . ?
C10 C11 C12 Cl1 -177.27(17) . . . . ?
C10 C11 C12 C32 2.0(3) . . . . ?
C11 C12 C32 C31 -0.7(3) . . . . ?
C13 N1 C3 C2 -0.6(2) . . . . ?
C13 N1 C3 C4 176.9(2) . . . . ?
C13 C1 C2 C3 -0.2(2) . . . . ?
C13 C1 C2 C14 -177.9(2) . . . . ?
C14 C2 C3 N1 178.65(17) . . . . ?
C14 C2 C3 C4 0.9(3) . . . . ?
C15 C5 C6 O1 52.8(2) . . . . ?
C15 C5 C6 C7 172.04(16) . . . . ?
C15 C5 C6 C16 -61.2(2) . . . . ?
C16 C6 C7 C8 148.26(17) . . . . ?
C16 C17 C18 C19 -2.7(3) . . . . ?
C17 C16 C21 C20 0.9(3) . . . . ?
C17 C18 C19 C20 1.8(3) . . . . ?
C18 C19 C20 C21 0.5(3) . . . . ?
C19 C20 C21 C16 -1.8(3) . . . . ?
C21 C16 C17 C18 1.4(3) . . . . ?
C22 O1 C6 C5 79.69(17) . . . . ?
C22 O1 C6 C7 -42.11(19) . . . . ?
C22 O1 C6 C16 -162.09(14) . . . . ?
C22 C23 C24 O2 171.7(2) . . . . ?
C22 C23 C24 O3 -7.6(3) . . . . ?
C23 C8 C9 C10 129.55(19) . . . . ?
C23 C8 C9 C31 -55.4(2) . . . . ?
C23 C22 C30 C25 -3.5(3) . . . . ?
C23 C22 C30 C29 175.19(18) . . . . ?
C24 O3 C25 C26 -177.95(18) . . . . ?
C24 O3 C25 C30 1.7(3) . . . . ?
C25 O3 C24 O2 -176.51(18) . . . . ?
C25 O3 C24 C23 2.8(3) . . . . ?
C25 C26 C27 C28 -0.1(3) . . . . ?
C26 C25 C30 C22 178.12(18) . . . . ?
C26 C25 C30 C29 -0.6(3) . . . . ?
C26 C27 C28 C29 0.9(3) . . . . ?
C27 C28 C29 C30 -1.5(3) . . . . ?
C28 C29 C30 C22 -177.30(17) . . . . ?
C28 C29 C30 C25 1.3(3) . . . . ?
C30 C22 C23 C8 -170.02(16) . . . . ?
C30 C22 C23 C24 8.0(3) . . . . ?
C30 C25 C26 C27 0.0(3) . . . . ?
C31 C9 C10 C11 -0.9(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
