# Electronic Supplementary Material (ESI) for ChemComm.
# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_210414d
_database_code_depnum_ccdc_archive 'CCDC 2141386'
loop_
_audit_author_name
_audit_author_address
'Bo Jiang'
;Jiangsu Normal University
China
;
_audit_update_record             
;
2022-01-11 deposited with the CCDC.	2022-03-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H18 Br N3 O4 S'
_chemical_formula_weight         524.38

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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.0233(9)
_cell_length_b                   21.020(2)
_cell_length_c                   15.0121(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.257(4)
_cell_angle_gamma                90.00
_cell_volume                     2157.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    791
_cell_measurement_theta_min      2.788
_cell_measurement_theta_max      27.478

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1064
_exptl_absorpt_coefficient_mu    2.041
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6294
_exptl_absorpt_correction_T_max  0.9228
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            3750
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.3136
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.39
_diffrn_reflns_theta_max         25.02
_reflns_number_total             3750
_reflns_number_gt                1184
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0001P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3750
_refine_ls_number_parameters     300
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2401
_refine_ls_R_factor_gt           0.0779
_refine_ls_wR_factor_ref         0.1312
_refine_ls_wR_factor_gt          0.1017
_refine_ls_goodness_of_fit_ref   0.785
_refine_ls_restrained_S_all      0.785
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Br1 Br 0.28855(15) -0.05017(4) 1.09262(7) 0.0778(4) Uani 1 1 d . . .
N1 N 0.5965(9) 0.2632(3) 0.7941(4) 0.0493(18) Uani 1 1 d . . .
N2 N 0.4926(9) 0.2716(3) 1.0743(5) 0.0524(19) Uani 1 1 d . . .
H2 H 0.5010 0.2659 1.1318 0.063 Uiso 1 1 calc R . .
N3 N 0.5646(13) 0.3809(4) 1.0909(8) 0.082(3) Uani 1 1 d . . .
O1 O 0.5812(10) 0.4333(3) 1.0553(4) 0.086(2) Uani 1 1 d . . .
O2 O 0.5987(11) 0.3719(3) 1.1771(5) 0.098(3) Uani 1 1 d . . .
O3 O 0.8435(8) 0.1800(2) 0.8495(4) 0.0719(18) Uani 1 1 d . . .
O4 O 0.9098(7) 0.2673(2) 0.7490(3) 0.0628(17) Uani 1 1 d . . .
S1 S 0.8324(3) 0.24605(10) 0.82391(17) 0.0556(7) Uani 1 1 d . . .
C1 C 0.4647(11) 0.2248(3) 0.8390(5) 0.047(2) Uani 1 1 d . . .
H1A H 0.3334 0.2240 0.8003 0.056 Uiso 1 1 calc R . .
H1B H 0.5120 0.1814 0.8479 0.056 Uiso 1 1 calc R . .
C2 C 0.4620(11) 0.2541(4) 0.9281(6) 0.046(2) Uani 1 1 d . . .
C3 C 0.4612(11) 0.2260(4) 1.0112(7) 0.048(2) Uani 1 1 d . . .
C4 C 0.5091(13) 0.3280(4) 1.0341(7) 0.055(3) Uani 1 1 d . . .
C5 C 0.4905(11) 0.3192(4) 0.9405(7) 0.047(2) Uani 1 1 d . . .
C6 C 0.4990(10) 0.3601(4) 0.8630(6) 0.042(2) Uani 1 1 d . . .
C7 C 0.5504(11) 0.3295(3) 0.7909(6) 0.043(2) Uani 1 1 d . . .
C8 C 0.5606(11) 0.3625(4) 0.7104(6) 0.060(3) Uani 1 1 d . . .
H8 H 0.5960 0.3414 0.6622 0.072 Uiso 1 1 calc R . .
C9 C 0.5168(13) 0.4271(4) 0.7042(7) 0.072(3) Uani 1 1 d . . .
H9 H 0.5218 0.4501 0.6519 0.086 Uiso 1 1 calc R . .
C10 C 0.4654(11) 0.4565(4) 0.7783(7) 0.059(3) Uani 1 1 d . . .
H10 H 0.4408 0.5000 0.7761 0.071 Uiso 1 1 calc R . .
C11 C 0.4503(11) 0.4234(4) 0.8532(6) 0.051(2) Uani 1 1 d . . .
H11 H 0.4058 0.4439 0.8994 0.062 Uiso 1 1 calc R . .
C12 C 0.4286(13) 0.1602(4) 1.0328(7) 0.050(2) Uani 1 1 d . . .
C13 C 0.2917(11) 0.1233(4) 0.9691(6) 0.057(2) Uani 1 1 d . . .
H13 H 0.2265 0.1413 0.9139 0.068 Uiso 1 1 calc R . .
C14 C 0.2539(13) 0.0598(4) 0.9889(7) 0.061(3) Uani 1 1 d . . .
H14 H 0.1635 0.0361 0.9469 0.073 Uiso 1 1 calc R . .
C15 C 0.3491(13) 0.0326(4) 1.0695(7) 0.052(3) Uani 1 1 d . . .
C16 C 0.4838(13) 0.0683(4) 1.1289(6) 0.054(2) Uani 1 1 d . . .
H16 H 0.5536 0.0499 1.1829 0.064 Uiso 1 1 calc R . .
C17 C 0.5182(11) 0.1301(4) 1.1111(6) 0.049(2) Uani 1 1 d . . .
H17 H 0.6076 0.1529 1.1548 0.059 Uiso 1 1 calc R . .
C18 C 0.9369(12) 0.2947(4) 0.9194(6) 0.049(2) Uani 1 1 d . . .
C19 C 0.9818(12) 0.3569(5) 0.9046(6) 0.057(2) Uani 1 1 d . . .
H19 H 0.9699 0.3724 0.8456 0.068 Uiso 1 1 calc R . .
C20 C 1.0457(13) 0.3960(5) 0.9808(9) 0.075(3) Uani 1 1 d . . .
H20 H 1.0882 0.4372 0.9738 0.089 Uiso 1 1 calc R . .
C21 C 1.0448(13) 0.3731(6) 1.0647(8) 0.070(3) Uani 1 1 d . . .
C22 C 1.0050(14) 0.3108(6) 1.0779(8) 0.077(3) Uani 1 1 d . . .
H22 H 1.0172 0.2958 1.1372 0.093 Uiso 1 1 calc R . .
C23 C 0.9478(13) 0.2697(5) 1.0062(8) 0.070(3) Uani 1 1 d . . .
H23 H 0.9178 0.2274 1.0149 0.084 Uiso 1 1 calc R . .
C24 C 1.1017(15) 0.4168(5) 1.1465(7) 0.114(4) Uani 1 1 d . . .
H24A H 1.1758 0.3935 1.1978 0.171 Uiso 1 1 calc R . .
H24B H 0.9858 0.4337 1.1615 0.171 Uiso 1 1 calc R . .
H24C H 1.1797 0.4512 1.1322 0.171 Uiso 1 1 calc R . .


_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
Br1 C15 1.842(8) . ?
N1 C7 1.430(8) . ?
N1 C1 1.499(8) . ?
N1 S1 1.654(6) . ?
N2 C3 1.329(9) . ?
N2 C4 1.349(9) . ?
N2 H2 0.8600 . ?
N3 O1 1.241(8) . ?
N3 O2 1.274(9) . ?
N3 C4 1.402(11) . ?
O3 S1 1.439(5) . ?
O4 S1 1.428(5) . ?
S1 C18 1.777(9) . ?
C1 C2 1.476(9) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.381(10) . ?
C2 C5 1.390(9) . ?
C3 C12 1.450(10) . ?
C4 C5 1.393(10) . ?
C5 C6 1.459(10) . ?
C6 C11 1.373(9) . ?
C6 C7 1.377(9) . ?
C7 C8 1.410(10) . ?
C8 C9 1.390(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.391(11) . ?
C9 H9 0.9300 . ?
C10 C11 1.346(10) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C17 1.357(10) . ?
C12 C13 1.421(10) . ?
C13 C14 1.406(9) . ?
C13 H13 0.9300 . ?
C14 C15 1.367(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.366(10) . ?
C16 C17 1.360(9) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.374(10) . ?
C18 C23 1.390(10) . ?
C19 C20 1.396(11) . ?
C19 H19 0.9300 . ?
C20 C21 1.351(12) . ?
C20 H20 0.9300 . ?
C21 C22 1.363(12) . ?
C21 C24 1.513(12) . ?
C22 C23 1.367(12) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?

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
C7 N1 C1 112.4(6) . . ?
C7 N1 S1 115.2(5) . . ?
C1 N1 S1 116.4(5) . . ?
C3 N2 C4 109.4(8) . . ?
C3 N2 H2 125.3 . . ?
C4 N2 H2 125.3 . . ?
O1 N3 O2 123.7(9) . . ?
O1 N3 C4 118.8(10) . . ?
O2 N3 C4 117.5(9) . . ?
O4 S1 O3 120.4(3) . . ?
O4 S1 N1 104.9(3) . . ?
O3 S1 N1 105.8(3) . . ?
O4 S1 C18 107.1(4) . . ?
O3 S1 C18 110.7(4) . . ?
N1 S1 C18 107.2(3) . . ?
C2 C1 N1 108.7(6) . . ?
C2 C1 H1A 110.0 . . ?
N1 C1 H1A 110.0 . . ?
C2 C1 H1B 110.0 . . ?
N1 C1 H1B 110.0 . . ?
H1A C1 H1B 108.3 . . ?
C3 C2 C5 109.2(8) . . ?
C3 C2 C1 130.1(9) . . ?
C5 C2 C1 120.0(8) . . ?
N2 C3 C2 107.6(8) . . ?
N2 C3 C12 122.4(9) . . ?
C2 C3 C12 130.0(9) . . ?
N2 C4 C5 109.7(8) . . ?
N2 C4 N3 117.8(9) . . ?
C5 C4 N3 132.0(9) . . ?
C2 C5 C4 104.1(8) . . ?
C2 C5 C6 120.3(9) . . ?
C4 C5 C6 135.5(9) . . ?
C11 C6 C7 118.1(8) . . ?
C11 C6 C5 127.0(8) . . ?
C7 C6 C5 114.7(8) . . ?
C6 C7 C8 121.2(8) . . ?
C6 C7 N1 121.8(8) . . ?
C8 C7 N1 116.9(8) . . ?
C9 C8 C7 118.9(8) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
C8 C9 C10 118.4(9) . . ?
C8 C9 H9 120.8 . . ?
C10 C9 H9 120.8 . . ?
C11 C10 C9 121.5(8) . . ?
C11 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
C10 C11 C6 121.7(8) . . ?
C10 C11 H11 119.2 . . ?
C6 C11 H11 119.2 . . ?
C17 C12 C13 115.8(8) . . ?
C17 C12 C3 125.0(9) . . ?
C13 C12 C3 119.2(9) . . ?
C14 C13 C12 120.5(8) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C15 C14 C13 120.5(8) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 118.2(8) . . ?
C16 C15 Br1 123.5(7) . . ?
C14 C15 Br1 118.3(8) . . ?
C17 C16 C15 121.6(8) . . ?
C17 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
C12 C17 C16 123.3(8) . . ?
C12 C17 H17 118.4 . . ?
C16 C17 H17 118.4 . . ?
C19 C18 C23 123.1(9) . . ?
C19 C18 S1 119.0(7) . . ?
C23 C18 S1 117.5(8) . . ?
C18 C19 C20 118.1(9) . . ?
C18 C19 H19 121.0 . . ?
C20 C19 H19 121.0 . . ?
C21 C20 C19 118.9(10) . . ?
C21 C20 H20 120.5 . . ?
C19 C20 H20 120.5 . . ?
C20 C21 C22 121.6(11) . . ?
C20 C21 C24 118.9(12) . . ?
C22 C21 C24 119.4(12) . . ?
C21 C22 C23 121.7(11) . . ?
C21 C22 H22 119.1 . . ?
C23 C22 H22 119.1 . . ?
C22 C23 C18 116.2(9) . . ?
C22 C23 H23 121.9 . . ?
C18 C23 H23 121.9 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 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
C7 N1 S1 O4 -68.7(6) . . . . ?
C1 N1 S1 O4 156.4(5) . . . . ?
C7 N1 S1 O3 163.1(6) . . . . ?
C1 N1 S1 O3 28.2(6) . . . . ?
C7 N1 S1 C18 44.9(7) . . . . ?
C1 N1 S1 C18 -89.9(6) . . . . ?
C7 N1 C1 C2 -51.3(8) . . . . ?
S1 N1 C1 C2 84.8(7) . . . . ?
N1 C1 C2 C3 -140.6(8) . . . . ?
N1 C1 C2 C5 29.4(9) . . . . ?
C4 N2 C3 C2 1.3(9) . . . . ?
C4 N2 C3 C12 -177.3(7) . . . . ?
C5 C2 C3 N2 -1.4(9) . . . . ?
C1 C2 C3 N2 169.5(7) . . . . ?
C5 C2 C3 C12 177.1(8) . . . . ?
C1 C2 C3 C12 -12.1(14) . . . . ?
C3 N2 C4 C5 -0.8(9) . . . . ?
C3 N2 C4 N3 -172.9(7) . . . . ?
O1 N3 C4 N2 179.8(8) . . . . ?
O2 N3 C4 N2 1.0(12) . . . . ?
O1 N3 C4 C5 9.8(14) . . . . ?
O2 N3 C4 C5 -168.9(9) . . . . ?
C3 C2 C5 C4 0.8(9) . . . . ?
C1 C2 C5 C4 -171.1(7) . . . . ?
C3 C2 C5 C6 179.5(6) . . . . ?
C1 C2 C5 C6 7.6(11) . . . . ?
N2 C4 C5 C2 0.0(9) . . . . ?
N3 C4 C5 C2 170.6(9) . . . . ?
N2 C4 C5 C6 -178.3(8) . . . . ?
N3 C4 C5 C6 -7.8(16) . . . . ?
C2 C5 C6 C11 152.5(8) . . . . ?
C4 C5 C6 C11 -29.4(14) . . . . ?
C2 C5 C6 C7 -23.2(11) . . . . ?
C4 C5 C6 C7 154.9(9) . . . . ?
C11 C6 C7 C8 2.5(12) . . . . ?
C5 C6 C7 C8 178.6(7) . . . . ?
C11 C6 C7 N1 -177.7(6) . . . . ?
C5 C6 C7 N1 -1.6(11) . . . . ?
C1 N1 C7 C6 39.8(10) . . . . ?
S1 N1 C7 C6 -96.8(8) . . . . ?
C1 N1 C7 C8 -140.4(7) . . . . ?
S1 N1 C7 C8 83.0(7) . . . . ?
C6 C7 C8 C9 -0.3(12) . . . . ?
N1 C7 C8 C9 179.9(7) . . . . ?
C7 C8 C9 C10 0.3(12) . . . . ?
C8 C9 C10 C11 -2.6(13) . . . . ?
C9 C10 C11 C6 5.0(12) . . . . ?
C7 C6 C11 C10 -4.8(11) . . . . ?
C5 C6 C11 C10 179.6(8) . . . . ?
N2 C3 C12 C17 -36.3(12) . . . . ?
C2 C3 C12 C17 145.4(9) . . . . ?
N2 C3 C12 C13 142.8(8) . . . . ?
C2 C3 C12 C13 -35.4(12) . . . . ?
C17 C12 C13 C14 0.5(11) . . . . ?
C3 C12 C13 C14 -178.7(7) . . . . ?
C12 C13 C14 C15 -0.3(12) . . . . ?
C13 C14 C15 C16 -1.3(12) . . . . ?
C13 C14 C15 Br1 178.5(6) . . . . ?
C14 C15 C16 C17 2.6(12) . . . . ?
Br1 C15 C16 C17 -177.1(6) . . . . ?
C13 C12 C17 C16 0.8(11) . . . . ?
C3 C12 C17 C16 180.0(7) . . . . ?
C15 C16 C17 C12 -2.5(12) . . . . ?
O4 S1 C18 C19 31.9(7) . . . . ?
O3 S1 C18 C19 164.8(6) . . . . ?
N1 S1 C18 C19 -80.3(7) . . . . ?
O4 S1 C18 C23 -155.4(6) . . . . ?
O3 S1 C18 C23 -22.5(7) . . . . ?
N1 S1 C18 C23 92.4(7) . . . . ?
C23 C18 C19 C20 1.6(12) . . . . ?
S1 C18 C19 C20 173.8(6) . . . . ?
C18 C19 C20 C21 -5.6(12) . . . . ?
C19 C20 C21 C22 7.7(14) . . . . ?
C19 C20 C21 C24 -176.1(7) . . . . ?
C20 C21 C22 C23 -5.7(15) . . . . ?
C24 C21 C22 C23 178.2(9) . . . . ?
C21 C22 C23 C18 1.4(14) . . . . ?
C19 C18 C23 C22 0.5(13) . . . . ?
S1 C18 C23 C22 -171.8(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.464
_refine_diff_density_rms         0.098
