# Supplementary Information (SI) for Green Chemistry.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_xzr2438_0m
_database_code_depnum_ccdc_archive 'CCDC 2483284'
loop_
_audit_author_name
_audit_author_address
'Chaorong Qi'
;South China University of Technology
China
;
_audit_update_record             
;
2025-08-28 deposited with the CCDC.	2026-01-15 downloaded from the CCDC.
;
_audit_creation_date             2025-07-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H22 O S'
_chemical_formula_sum            'C23 H22 O S'
_chemical_formula_weight         346.46
_chemical_absolute_configuration rmad
_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'
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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   6.4582(7)
_cell_length_b                   12.2794(10)
_cell_length_c                   22.668(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1797.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1478
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.94
_cell_measurement_theta_min      2.45
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.978
_exptl_absorpt_coefficient_mu    0.188
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5146
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1141 before and 0.0921 after correction.
The Ratio of minimum to maximum transmission is 0.6904.
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    1.280
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0986
_diffrn_reflns_av_unetI/netI     0.0960
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            12590
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.398
_diffrn_reflns_theta_min         2.445
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.714
_reflns_Friedel_fraction_full    0.993
_reflns_Friedel_fraction_max     0.985
_reflns_number_gt                2566
_reflns_number_total             3655
_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 V8.41 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.41 (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.336
_refine_diff_density_min         -0.335
_refine_diff_density_rms         0.076
_refine_ls_abs_structure_details 
;
 Flack x determined using 779 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.00(10)
_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     229
_refine_ls_number_reflns         3655
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1170
_refine_ls_R_factor_gt           0.0704
_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)+(0.0328P)²+2.4918P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1310
_refine_ls_wR_factor_ref         0.1552
_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, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C17(H17), C15(H15), C14(H14), C16(H16), C19(H19), C22(H22), C23(H23),
 C21(H21), C13(H13), C20(H20)
2.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C)
2.d Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_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
S2 S 0.1764(3) 1.10967(12) 0.69241(8) 0.0403(4) Uani 1 1 d . . . . .
O1 O 0.6568(6) 0.6637(3) 0.60755(18) 0.0279(9) Uani 1 1 d . . . . .
H1 H 0.563568 0.711280 0.609563 0.042 Uiso 1 1 calc R U . . .
C6 C 0.4356(8) 0.9264(4) 0.6995(2) 0.0229(12) Uani 1 1 d . . . . .
C2 C 0.8428(9) 0.7127(4) 0.5928(2) 0.0238(12) Uani 1 1 d . . . . .
C3 C 0.8700(9) 0.8259(4) 0.5987(2) 0.0226(12) Uani 1 1 d . . . . .
C18 C 0.9769(9) 0.5247(4) 0.5664(2) 0.0251(13) Uani 1 1 d . . . . .
C1 C 0.9990(9) 0.6450(4) 0.5713(2) 0.0245(13) Uani 1 1 d . . . . .
C5 C 0.6010(9) 0.8672(4) 0.6755(2) 0.0270(13) Uani 1 1 d . . . . .
H5 H 0.646314 0.803968 0.695992 0.032 Uiso 1 1 calc R U . . .
C4 C 0.7029(9) 0.8953(4) 0.6235(2) 0.0245(12) Uani 1 1 d . . . . .
C17 C 1.1844(9) 0.6947(4) 0.5537(2) 0.0260(13) Uani 1 1 d . . . . .
H17 H 1.292619 0.650786 0.538191 0.031 Uiso 1 1 calc R U . . .
C15 C 1.0576(8) 0.8711(5) 0.5811(2) 0.0267(13) Uani 1 1 d . . . . .
H15 H 1.078755 0.947364 0.584768 0.032 Uiso 1 1 calc R U . . .
C14 C 0.6426(10) 0.9919(4) 0.5956(3) 0.0298(14) Uani 1 1 d . . . . .
H14 H 0.709800 1.014525 0.560393 0.036 Uiso 1 1 calc R U . . .
C7 C 0.3306(9) 0.8852(5) 0.7553(2) 0.0315(13) Uani 1 1 d . . . . .
C16 C 1.2143(9) 0.8063(5) 0.5583(3) 0.0289(14) Uani 1 1 d . . . . .
H16 H 1.341119 0.838067 0.545818 0.035 Uiso 1 1 calc R U . . .
C12 C 0.3817(9) 1.0228(4) 0.6708(3) 0.0280(14) Uani 1 1 d . . . . .
C19 C 0.7965(10) 0.4747(4) 0.5463(3) 0.0307(14) Uani 1 1 d . . . . .
H19 H 0.681843 0.518035 0.534568 0.037 Uiso 1 1 calc R U . . .
C22 C 1.1280(13) 0.3467(5) 0.5788(3) 0.0455(19) Uani 1 1 d . . . . .
H22 H 1.242382 0.302553 0.589847 0.055 Uiso 1 1 calc R U . . .
C23 C 1.1444(11) 0.4580(5) 0.5819(3) 0.0350(15) Uani 1 1 d . . . . .
H23 H 1.270421 0.490154 0.594735 0.042 Uiso 1 1 calc R U . . .
C21 C 0.9470(12) 0.2981(5) 0.5597(3) 0.0435(19) Uani 1 1 d . . . . .
H21 H 0.935989 0.220999 0.557909 0.052 Uiso 1 1 calc R U . . .
C13 C 0.4861(10) 1.0541(5) 0.6192(3) 0.0324(15) Uani 1 1 d . . . . .
H13 H 0.447596 1.119912 0.600137 0.039 Uiso 1 1 calc R U . . .
C20 C 0.7831(11) 0.3627(5) 0.5433(3) 0.0370(16) Uani 1 1 d . . . . .
H20 H 0.658888 0.329776 0.529631 0.044 Uiso 1 1 calc R U . . .
C10 C 0.4665(12) 0.9102(6) 0.8073(3) 0.053(2) Uani 1 1 d . . . . .
H10A H 0.601693 0.875368 0.801962 0.080 Uiso 1 1 calc R U . . .
H10B H 0.401485 0.882445 0.843386 0.080 Uiso 1 1 calc R U . . .
H10C H 0.484985 0.989216 0.810631 0.080 Uiso 1 1 calc R U . . .
C11 C 0.3026(13) 0.7602(5) 0.7518(3) 0.056(2) Uani 1 1 d . . . . .
H11A H 0.238398 0.740968 0.714064 0.084 Uiso 1 1 calc R U . . .
H11B H 0.213710 0.735839 0.784257 0.084 Uiso 1 1 calc R U . . .
H11C H 0.438109 0.724719 0.754921 0.084 Uiso 1 1 calc R U . . .
C8 C 0.1116(11) 0.9283(7) 0.7607(4) 0.062(2) Uani 1 1 d . . . . .
H8A H 0.028237 0.898134 0.727913 0.074 Uiso 1 1 calc R U . . .
H8B H 0.051491 0.900735 0.798023 0.074 Uiso 1 1 calc R U . . .
C9 C 0.0922(14) 1.0472(6) 0.7600(4) 0.071(3) Uani 1 1 d . . . . .
H9A H 0.174241 1.077641 0.792955 0.085 Uiso 1 1 calc R U . . .
H9B H -0.054626 1.066698 0.766816 0.085 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
S2 C12 1.771(6) . ?
S2 C9 1.797(8) . ?
O1 H1 0.8400 . ?
O1 C2 1.384(7) . ?
C6 C5 1.402(7) . ?
C6 C7 1.521(8) . ?
C6 C12 1.395(7) . ?
C2 C3 1.407(7) . ?
C2 C1 1.395(8) . ?
C3 C4 1.485(8) . ?
C3 C15 1.392(7) . ?
C18 C1 1.488(8) . ?
C18 C19 1.393(8) . ?
C18 C23 1.402(8) . ?
C1 C17 1.403(8) . ?
C5 H5 0.9500 . ?
C5 C4 1.394(7) . ?
C4 C14 1.400(8) . ?
C17 H17 0.9500 . ?
C17 C16 1.387(8) . ?
C15 H15 0.9500 . ?
C15 C16 1.388(8) . ?
C14 H14 0.9500 . ?
C14 C13 1.376(8) . ?
C7 C10 1.502(9) . ?
C7 C11 1.547(9) . ?
C7 C8 1.515(9) . ?
C16 H16 0.9500 . ?
C12 C13 1.403(8) . ?
C19 H19 0.9500 . ?
C19 C20 1.380(8) . ?
C22 H22 0.9500 . ?
C22 C23 1.373(8) . ?
C22 C21 1.382(10) . ?
C23 H23 0.9500 . ?
C21 H21 0.9500 . ?
C21 C20 1.374(9) . ?
C13 H13 0.9500 . ?
C20 H20 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.466(11) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?

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
C12 S2 C9 101.8(3) . . ?
C2 O1 H1 109.5 . . ?
C5 C6 C7 119.3(5) . . ?
C12 C6 C5 116.7(5) . . ?
C12 C6 C7 124.0(5) . . ?
O1 C2 C3 120.9(5) . . ?
O1 C2 C1 116.9(5) . . ?
C1 C2 C3 122.1(5) . . ?
C2 C3 C4 120.8(5) . . ?
C15 C3 C2 118.4(5) . . ?
C15 C3 C4 120.8(5) . . ?
C19 C18 C1 122.9(5) . . ?
C19 C18 C23 118.0(5) . . ?
C23 C18 C1 119.1(6) . . ?
C2 C1 C18 123.3(5) . . ?
C17 C1 C2 117.2(5) . . ?
C17 C1 C18 119.5(5) . . ?
C6 C5 H5 118.0 . . ?
C4 C5 C6 124.0(5) . . ?
C4 C5 H5 118.0 . . ?
C5 C4 C3 121.4(5) . . ?
C5 C4 C14 117.5(5) . . ?
C14 C4 C3 121.1(5) . . ?
C1 C17 H17 119.1 . . ?
C16 C17 C1 121.8(5) . . ?
C16 C17 H17 119.1 . . ?
C3 C15 H15 119.6 . . ?
C16 C15 C3 120.9(5) . . ?
C16 C15 H15 119.6 . . ?
C4 C14 H14 120.0 . . ?
C13 C14 C4 119.9(6) . . ?
C13 C14 H14 120.0 . . ?
C6 C7 C11 109.9(5) . . ?
C10 C7 C6 108.9(5) . . ?
C10 C7 C11 108.1(6) . . ?
C10 C7 C8 114.2(6) . . ?
C8 C7 C6 111.6(5) . . ?
C8 C7 C11 104.0(6) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 C17 119.5(6) . . ?
C15 C16 H16 120.2 . . ?
C6 C12 S2 124.7(5) . . ?
C6 C12 C13 120.1(5) . . ?
C13 C12 S2 115.2(4) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.6(6) . . ?
C20 C19 H19 119.7 . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C21 C22 C23 120.8(7) . . ?
C18 C23 H23 119.7 . . ?
C22 C23 C18 120.6(7) . . ?
C22 C23 H23 119.7 . . ?
C22 C21 H21 120.4 . . ?
C20 C21 C22 119.1(6) . . ?
C20 C21 H21 120.4 . . ?
C14 C13 C12 121.7(5) . . ?
C14 C13 H13 119.1 . . ?
C12 C13 H13 119.1 . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 120.9(7) . . ?
C21 C20 H20 119.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C11 H11A 109.5 . . ?
C7 C11 H11B 109.5 . . ?
C7 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C7 C8 H8A 108.5 . . ?
C7 C8 H8B 108.5 . . ?
H8A C8 H8B 107.5 . . ?
C9 C8 C7 115.3(7) . . ?
C9 C8 H8A 108.5 . . ?
C9 C8 H8B 108.5 . . ?
S2 C9 H9A 108.7 . . ?
S2 C9 H9B 108.7 . . ?
C8 C9 S2 114.2(6) . . ?
C8 C9 H9A 108.7 . . ?
C8 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?

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
S2 C12 C13 C14 -177.0(5) . . . . ?
O1 C2 C3 C4 2.8(8) . . . . ?
O1 C2 C3 C15 -177.6(5) . . . . ?
O1 C2 C1 C18 -2.8(8) . . . . ?
O1 C2 C1 C17 177.1(4) . . . . ?
C6 C5 C4 C3 -176.8(5) . . . . ?
C6 C5 C4 C14 3.6(8) . . . . ?
C6 C7 C8 C9 -56.8(9) . . . . ?
C6 C12 C13 C14 -0.1(9) . . . . ?
C2 C3 C4 C5 48.1(8) . . . . ?
C2 C3 C4 C14 -132.3(6) . . . . ?
C2 C3 C15 C16 0.0(8) . . . . ?
C2 C1 C17 C16 1.1(8) . . . . ?
C3 C2 C1 C18 178.0(5) . . . . ?
C3 C2 C1 C17 -2.1(8) . . . . ?
C3 C4 C14 C13 179.4(5) . . . . ?
C3 C15 C16 C17 -0.9(8) . . . . ?
C18 C1 C17 C16 -179.0(5) . . . . ?
C18 C19 C20 C21 -0.3(9) . . . . ?
C1 C2 C3 C4 -178.1(5) . . . . ?
C1 C2 C3 C15 1.6(8) . . . . ?
C1 C18 C19 C20 -179.1(5) . . . . ?
C1 C18 C23 C22 178.9(6) . . . . ?
C1 C17 C16 C15 0.3(8) . . . . ?
C5 C6 C7 C10 76.5(7) . . . . ?
C5 C6 C7 C11 -41.8(8) . . . . ?
C5 C6 C7 C8 -156.5(6) . . . . ?
C5 C6 C12 S2 179.0(4) . . . . ?
C5 C6 C12 C13 2.4(8) . . . . ?
C5 C4 C14 C13 -1.0(8) . . . . ?
C4 C3 C15 C16 179.6(5) . . . . ?
C4 C14 C13 C12 -0.7(9) . . . . ?
C15 C3 C4 C5 -131.5(6) . . . . ?
C15 C3 C4 C14 48.1(8) . . . . ?
C7 C6 C5 C4 177.5(5) . . . . ?
C7 C6 C12 S2 -2.8(8) . . . . ?
C7 C6 C12 C13 -179.5(5) . . . . ?
C7 C8 C9 S2 62.8(9) . . . . ?
C12 S2 C9 C8 -33.5(8) . . . . ?
C12 C6 C5 C4 -4.3(8) . . . . ?
C12 C6 C7 C10 -101.6(7) . . . . ?
C12 C6 C7 C11 140.1(6) . . . . ?
C12 C6 C7 C8 25.4(8) . . . . ?
C19 C18 C1 C2 41.6(9) . . . . ?
C19 C18 C1 C17 -138.3(6) . . . . ?
C19 C18 C23 C22 -1.7(9) . . . . ?
C22 C21 C20 C19 -0.8(10) . . . . ?
C23 C18 C1 C2 -139.0(6) . . . . ?
C23 C18 C1 C17 41.1(8) . . . . ?
C23 C18 C19 C20 1.5(9) . . . . ?
C23 C22 C21 C20 0.6(10) . . . . ?
C21 C22 C23 C18 0.7(10) . . . . ?
C10 C7 C8 C9 67.2(9) . . . . ?
C11 C7 C8 C9 -175.2(7) . . . . ?
C9 S2 C12 C6 5.6(6) . . . . ?
C9 S2 C12 C13 -177.6(5) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
