# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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 
# this file and to allow appropriate attribution of the data. 
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data_465_hyx_0m
_audit_block_doi                 10.5517/ccdc.csd.cc27x87p
_database_code_depnum_ccdc_archive 'CCDC 2082742'
loop_
_audit_author_name
_audit_author_address
'Kang Zhou'
;Shenzhen Polytechnic
China
;
_audit_update_record             
;
2021-05-09 deposited with the CCDC.	2022-07-11 downloaded from the CCDC.
;
_audit_creation_date             2021-05-09
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H17 Cl O5 S'
_chemical_formula_sum            'C24 H17 Cl O5 S'
_chemical_formula_weight         452.88
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.098(2)
_cell_length_b                   11.406(3)
_cell_length_c                   11.625(3)
_cell_angle_alpha                82.950(10)
_cell_angle_beta                 86.222(9)
_cell_angle_gamma                88.218(9)
_cell_volume                     1063.1(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8742
_cell_measurement_temperature    250.0
_cell_measurement_theta_max      31.823
_cell_measurement_theta_min      2.521
_shelx_estimated_absorpt_T_max   0.885
_shelx_estimated_absorpt_T_min   0.788
_exptl_absorpt_coefficient_mu    0.312
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.6887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1167 before and 0.0543 after correction.
The Ratio of minimum to maximum transmission is 0.9228.
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    1.415
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.4
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_unetI/netI     0.0430
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25550
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.085
_diffrn_reflns_theta_min         2.366
_diffrn_ambient_temperature      250.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_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                5221
_reflns_number_total             7398
_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 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.414
_refine_diff_density_min         -0.455
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         7398
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0461
_refine_ls_restrained_S_all      1.032
_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)+(0.0395P)²+0.3116P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1149
_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:
 C1(H1), C2(H2), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C14(H14),
 C15(H15), C16(H16), C17(H17)
2.b Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C24(H24A,H24B,H24C)
;
_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 0.25440(5) 0.36782(5) 0.68338(4) 0.06039(14) Uani 1 1 d . . . . .
S1 S 0.55147(4) 0.17174(3) 0.34887(3) 0.03570(10) Uani 1 1 d . . . . .
O1 O 0.89576(12) 0.31177(9) 0.30785(8) 0.0366(2) Uani 1 1 d . . . . .
O2 O 0.85809(15) 0.27644(13) 0.01396(9) 0.0576(3) Uani 1 1 d . . . . .
O3 O 1.06503(18) 0.33805(18) 0.10347(12) 0.0820(5) Uani 1 1 d . . . . .
O4 O 0.50768(14) 0.24105(10) 0.07418(10) 0.0439(3) Uani 1 1 d . . . . .
O5 O 0.64678(16) 0.06839(10) 0.09402(11) 0.0524(3) Uani 1 1 d . . . . .
C1 C 1.09563(17) 0.19900(14) 0.42194(14) 0.0384(3) Uani 1 1 d . . . . .
H1 H 1.178599 0.218610 0.362892 0.046 Uiso 1 1 calc R U . . .
C2 C 1.13338(17) 0.13609(14) 0.52403(14) 0.0406(3) Uani 1 1 d . . . . .
H2 H 1.244047 0.112903 0.535589 0.049 Uiso 1 1 calc R U . . .
C3 C 1.00966(18) 0.10452(12) 0.61370(13) 0.0358(3) Uani 1 1 d . . . . .
C4 C 0.84101(16) 0.13674(12) 0.59533(12) 0.0314(3) Uani 1 1 d . . . . .
C5 C 0.80425(15) 0.20498(12) 0.48845(11) 0.0292(3) Uani 1 1 d . . . . .
C6 C 0.93017(16) 0.23419(12) 0.40632(12) 0.0309(3) Uani 1 1 d . . . . .
C7 C 1.0488(2) 0.04219(14) 0.72172(15) 0.0477(4) Uani 1 1 d . . . . .
H7 H 1.159960 0.022458 0.735495 0.057 Uiso 1 1 calc R U . . .
C8 C 0.9286(3) 0.01036(16) 0.80589(16) 0.0551(4) Uani 1 1 d . . . . .
H8 H 0.957137 -0.030877 0.877146 0.066 Uiso 1 1 calc R U . . .
C9 C 0.7619(2) 0.03886(16) 0.78680(15) 0.0507(4) Uani 1 1 d . . . . .
H9 H 0.679313 0.015140 0.844921 0.061 Uiso 1 1 calc R U . . .
C10 C 0.7184(2) 0.10079(14) 0.68444(13) 0.0403(3) Uani 1 1 d . . . . .
H10 H 0.606402 0.119686 0.673078 0.048 Uiso 1 1 calc R U . . .
C11 C 0.63422(15) 0.24384(12) 0.45932(11) 0.0292(3) Uani 1 1 d . . . . .
C12 C 0.53429(16) 0.32051(12) 0.50955(11) 0.0300(3) Uani 1 1 d . . . . .
H12 H 0.427195 0.331664 0.482854 0.036 Uiso 1 1 calc R U . . .
C13 C 0.57485(17) 0.38927(12) 0.60242(12) 0.0322(3) Uani 1 1 d . . . . .
C14 C 0.73303(19) 0.43411(13) 0.60769(14) 0.0400(3) Uani 1 1 d . . . . .
H14 H 0.817716 0.416267 0.552855 0.048 Uiso 1 1 calc R U . . .
C15 C 0.7670(2) 0.50409(14) 0.69198(17) 0.0505(4) Uani 1 1 d . . . . .
H15 H 0.874157 0.532805 0.694287 0.061 Uiso 1 1 calc R U . . .
C16 C 0.6437(3) 0.53180(15) 0.77274(16) 0.0556(5) Uani 1 1 d . . . . .
H16 H 0.667201 0.579254 0.830007 0.067 Uiso 1 1 calc R U . . .
C17 C 0.4864(2) 0.49005(15) 0.76957(15) 0.0510(4) Uani 1 1 d . . . . .
H17 H 0.402218 0.509058 0.824265 0.061 Uiso 1 1 calc R U . . .
C18 C 0.45346(19) 0.41984(13) 0.68507(13) 0.0383(3) Uani 1 1 d . . . . .
C19 C 0.9491(3) 0.3025(2) -0.09635(15) 0.0620(5) Uani 1 1 d . . . . .
H19A H 0.879112 0.290773 -0.158325 0.093 Uiso 1 1 calc R U . . .
H19B H 1.045843 0.250358 -0.099488 0.093 Uiso 1 1 calc R U . . .
H19C H 0.983829 0.383934 -0.105559 0.093 Uiso 1 1 calc R U . . .
C20 C 0.93018(18) 0.29895(14) 0.10674(13) 0.0382(3) Uani 1 1 d . . . . .
C21 C 0.82753(16) 0.26738(12) 0.21669(11) 0.0318(3) Uani 1 1 d . . . . .
C22 C 0.68428(16) 0.20991(12) 0.22533(12) 0.0304(3) Uani 1 1 d . . . . .
C23 C 0.61511(16) 0.16421(13) 0.12216(12) 0.0323(3) Uani 1 1 d . . . . .
C24 C 0.4336(2) 0.21031(18) -0.02810(15) 0.0537(4) Uani 1 1 d . . . . .
H24A H 0.516102 0.214659 -0.092754 0.080 Uiso 1 1 calc R U . . .
H24B H 0.342685 0.265102 -0.047305 0.080 Uiso 1 1 calc R U . . .
H24C H 0.392364 0.130604 -0.012593 0.080 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 C18 1.7371(17) . ?
S1 C11 1.7834(13) . ?
S1 C22 1.7553(14) . ?
O1 C6 1.3961(17) . ?
O1 C21 1.3825(16) . ?
O2 C19 1.439(2) . ?
O2 C20 1.3153(18) . ?
O3 C20 1.1889(19) . ?
O4 C23 1.3163(17) . ?
O4 C24 1.4513(19) . ?
O5 C23 1.1944(17) . ?
C1 H1 0.9400 . ?
C1 C2 1.357(2) . ?
C1 C6 1.4037(19) . ?
C2 H2 0.9400 . ?
C2 C3 1.419(2) . ?
C3 C4 1.4261(19) . ?
C3 C7 1.415(2) . ?
C4 C5 1.4266(19) . ?
C4 C10 1.419(2) . ?
C5 C6 1.3701(18) . ?
C5 C11 1.4811(18) . ?
C7 H7 0.9400 . ?
C7 C8 1.359(3) . ?
C8 H8 0.9400 . ?
C8 C9 1.405(3) . ?
C9 H9 0.9400 . ?
C9 C10 1.368(2) . ?
C10 H10 0.9400 . ?
C11 C12 1.3340(18) . ?
C12 H12 0.9400 . ?
C12 C13 1.4694(18) . ?
C13 C14 1.402(2) . ?
C13 C18 1.396(2) . ?
C14 H14 0.9400 . ?
C14 C15 1.384(2) . ?
C15 H15 0.9400 . ?
C15 C16 1.381(3) . ?
C16 H16 0.9400 . ?
C16 C17 1.378(3) . ?
C17 H17 0.9400 . ?
C17 C18 1.385(2) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 H19C 0.9700 . ?
C20 C21 1.490(2) . ?
C21 C22 1.3421(19) . ?
C22 C23 1.5113(18) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 H24C 0.9700 . ?

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 S1 C11 104.38(6) . . ?
C21 O1 C6 118.65(11) . . ?
C20 O2 C19 117.12(14) . . ?
C23 O4 C24 116.67(12) . . ?
C2 C1 H1 120.7 . . ?
C2 C1 C6 118.65(14) . . ?
C6 C1 H1 120.7 . . ?
C1 C2 H2 119.2 . . ?
C1 C2 C3 121.51(13) . . ?
C3 C2 H2 119.2 . . ?
C2 C3 C4 119.43(13) . . ?
C7 C3 C2 121.81(14) . . ?
C7 C3 C4 118.77(15) . . ?
C3 C4 C5 118.19(13) . . ?
C10 C4 C3 118.59(13) . . ?
C10 C4 C5 123.21(13) . . ?
C4 C5 C11 123.22(12) . . ?
C6 C5 C4 119.31(12) . . ?
C6 C5 C11 117.45(12) . . ?
O1 C6 C1 118.14(12) . . ?
C5 C6 O1 118.71(12) . . ?
C5 C6 C1 122.84(13) . . ?
C3 C7 H7 119.4 . . ?
C8 C7 C3 121.14(16) . . ?
C8 C7 H7 119.4 . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.24(16) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.66(16) . . ?
C10 C9 H9 119.7 . . ?
C4 C10 H10 119.7 . . ?
C9 C10 C4 120.56(15) . . ?
C9 C10 H10 119.7 . . ?
C5 C11 S1 114.96(9) . . ?
C12 C11 S1 116.94(10) . . ?
C12 C11 C5 127.99(12) . . ?
C11 C12 H12 116.7 . . ?
C11 C12 C13 126.53(12) . . ?
C13 C12 H12 116.7 . . ?
C14 C13 C12 121.97(13) . . ?
C18 C13 C12 121.03(13) . . ?
C18 C13 C14 116.86(13) . . ?
C13 C14 H14 119.3 . . ?
C15 C14 C13 121.33(15) . . ?
C15 C14 H14 119.3 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.09(16) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.16(15) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 120.3 . . ?
C16 C17 C18 119.41(16) . . ?
C18 C17 H17 120.3 . . ?
C13 C18 Cl1 119.35(11) . . ?
C17 C18 Cl1 118.49(13) . . ?
C17 C18 C13 122.16(15) . . ?
O2 C19 H19A 109.5 . . ?
O2 C19 H19B 109.5 . . ?
O2 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O2 C20 C21 113.14(12) . . ?
O3 C20 O2 123.44(14) . . ?
O3 C20 C21 123.39(14) . . ?
O1 C21 C20 110.30(11) . . ?
C22 C21 O1 124.55(12) . . ?
C22 C21 C20 125.04(12) . . ?
C21 C22 S1 128.83(11) . . ?
C21 C22 C23 122.15(12) . . ?
C23 C22 S1 109.01(9) . . ?
O4 C23 C22 110.43(11) . . ?
O5 C23 O4 125.50(13) . . ?
O5 C23 C22 123.90(13) . . ?
O4 C24 H24A 109.5 . . ?
O4 C24 H24B 109.5 . . ?
O4 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 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
S1 C11 C12 C13 179.59(11) . . . . ?
S1 C22 C23 O4 86.09(13) . . . . ?
S1 C22 C23 O5 -89.43(16) . . . . ?
O1 C21 C22 S1 -2.2(2) . . . . ?
O1 C21 C22 C23 179.48(12) . . . . ?
O2 C20 C21 O1 -169.44(13) . . . . ?
O2 C20 C21 C22 7.1(2) . . . . ?
O3 C20 C21 O1 12.1(2) . . . . ?
O3 C20 C21 C22 -171.36(18) . . . . ?
C1 C2 C3 C4 1.7(2) . . . . ?
C1 C2 C3 C7 -177.96(14) . . . . ?
C2 C1 C6 O1 171.66(13) . . . . ?
C2 C1 C6 C5 -1.9(2) . . . . ?
C2 C3 C4 C5 -2.95(19) . . . . ?
C2 C3 C4 C10 177.82(13) . . . . ?
C2 C3 C7 C8 -178.59(15) . . . . ?
C3 C4 C5 C6 1.86(18) . . . . ?
C3 C4 C5 C11 -179.97(12) . . . . ?
C3 C4 C10 C9 1.5(2) . . . . ?
C3 C7 C8 C9 0.1(3) . . . . ?
C4 C3 C7 C8 1.7(2) . . . . ?
C4 C5 C6 O1 -172.94(11) . . . . ?
C4 C5 C6 C1 0.5(2) . . . . ?
C4 C5 C11 S1 -109.39(13) . . . . ?
C4 C5 C11 C12 66.7(2) . . . . ?
C5 C4 C10 C9 -177.73(14) . . . . ?
C5 C11 C12 C13 3.5(2) . . . . ?
C6 O1 C21 C20 -125.54(13) . . . . ?
C6 O1 C21 C22 57.94(18) . . . . ?
C6 C1 C2 C3 0.7(2) . . . . ?
C6 C5 C11 S1 68.81(14) . . . . ?
C6 C5 C11 C12 -115.08(16) . . . . ?
C7 C3 C4 C5 176.72(13) . . . . ?
C7 C3 C4 C10 -2.5(2) . . . . ?
C7 C8 C9 C10 -1.2(3) . . . . ?
C8 C9 C10 C4 0.4(3) . . . . ?
C10 C4 C5 C6 -178.94(13) . . . . ?
C10 C4 C5 C11 -0.8(2) . . . . ?
C11 S1 C22 C21 7.59(15) . . . . ?
C11 S1 C22 C23 -173.91(9) . . . . ?
C11 C5 C6 O1 8.78(18) . . . . ?
C11 C5 C6 C1 -177.73(12) . . . . ?
C11 C12 C13 C14 36.0(2) . . . . ?
C11 C12 C13 C18 -148.57(15) . . . . ?
C12 C13 C14 C15 176.45(14) . . . . ?
C12 C13 C18 Cl1 4.09(19) . . . . ?
C12 C13 C18 C17 -176.36(14) . . . . ?
C13 C14 C15 C16 -0.4(3) . . . . ?
C14 C13 C18 Cl1 179.78(11) . . . . ?
C14 C13 C18 C17 -0.7(2) . . . . ?
C14 C15 C16 C17 -0.1(3) . . . . ?
C15 C16 C17 C18 0.2(3) . . . . ?
C16 C17 C18 Cl1 179.71(14) . . . . ?
C16 C17 C18 C13 0.2(3) . . . . ?
C18 C13 C14 C15 0.8(2) . . . . ?
C19 O2 C20 O3 -0.7(3) . . . . ?
C19 O2 C20 C21 -179.12(15) . . . . ?
C20 C21 C22 S1 -178.22(11) . . . . ?
C20 C21 C22 C23 3.5(2) . . . . ?
C21 O1 C6 C1 104.04(14) . . . . ?
C21 O1 C6 C5 -82.16(15) . . . . ?
C21 C22 C23 O4 -95.29(16) . . . . ?
C21 C22 C23 O5 89.2(2) . . . . ?
C22 S1 C11 C5 -62.11(11) . . . . ?
C22 S1 C11 C12 121.33(11) . . . . ?
C24 O4 C23 O5 -6.0(2) . . . . ?
C24 O4 C23 C22 178.57(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
