# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_mo_gs_ds_1_km_340_3_0m
_database_code_depnum_ccdc_archive 'CCDC 2255976'
loop_
_audit_author_name
_audit_author_address
'Mr Dasari Srinivas'
;IIT Hyderabad
India
;
_audit_update_record             
;
2023-04-13 deposited with the CCDC.	2023-06-20 downloaded from the CCDC.
;
_audit_creation_date             2023-03-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H29 Cl2 N O5 S'
_chemical_formula_sum            'C22 H29 Cl2 N O5 S'
_chemical_formula_weight         490.42
_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'
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                   6.3605(5)
_cell_length_b                   11.1325(10)
_cell_length_c                   18.2872(15)
_cell_angle_alpha                83.955(3)
_cell_angle_beta                 85.127(3)
_cell_angle_gamma                77.934(3)
_cell_volume                     1256.60(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4195
_cell_measurement_temperature    299
_cell_measurement_theta_max      21.55
_cell_measurement_theta_min      2.24
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.979
_exptl_absorpt_coefficient_mu    0.373
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6697
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1204 before and 0.0652 after correction.
The Ratio of minimum to maximum transmission is 0.8983.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.056
_exptl_crystal_size_mid          0.056
_exptl_crystal_size_min          0.023
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0765
_diffrn_reflns_av_unetI/netI     0.0763
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24035
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.149
_diffrn_reflns_theta_min         1.878
_diffrn_ambient_temperature      299
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_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           1.4
_diffrn_source_power             0.07
_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                2947
_reflns_number_total             5525
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.286
_refine_diff_density_min         -0.281
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         5525
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1284
_refine_ls_R_factor_gt           0.0551
_refine_ls_restrained_S_all      1.017
_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)+(0.0572P)²+0.2815P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1187
_refine_ls_wR_factor_ref         0.1484
_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 Ternary CH refined with riding coordinates:
 C20(H20), C15(H15)
2.b Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C12(H12A,H12B), C11(H11A,H11B), C14(H14A,H14B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C4(H4), C3(H3), C10(H10)
2.d Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C1(H1A,H1B,H1C), C21(H21A,H21B,H21C), C17(H17A,H17B,
 H17C), C16(H16A,H16B,H16C)
;
_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
S1 S 0.59848(13) 0.08343(6) 0.39562(4) 0.0464(2) Uani 1 1 d . . . . .
Cl2 Cl 0.08420(15) 0.31003(8) 0.30343(5) 0.0718(3) Uani 1 1 d . . . . .
Cl1 Cl 0.15845(17) 0.56189(8) 0.22416(5) 0.0790(3) Uani 1 1 d . . . . .
O3 O 0.5653(4) 0.11127(19) 0.31132(10) 0.0659(6) Uani 1 1 d . . . . .
O1 O 1.0233(4) 0.79976(19) 0.36116(12) 0.0636(6) Uani 1 1 d . . . . .
O2 O 1.0454(4) 0.6736(2) 0.46494(13) 0.0755(7) Uani 1 1 d . . . . .
O4 O 0.7993(4) 0.10778(19) 0.41037(13) 0.0692(6) Uani 1 1 d . . . . .
O5 O 0.5563(4) -0.03553(17) 0.41856(11) 0.0645(6) Uani 1 1 d . . . . .
N1 N 0.2333(6) 0.0683(4) 0.1816(3) 0.1252(15) Uani 1 1 d . . . . .
C22 C 0.6305(9) -0.1976(4) 0.1472(3) 0.1227(18) Uani 1 1 d . . . . .
H22A H 0.547774 -0.178168 0.192397 0.184 Uiso 1 1 calc R U . . .
H22B H 0.678322 -0.285334 0.147676 0.184 Uiso 1 1 calc R U . . .
H22C H 0.542662 -0.167794 0.106381 0.184 Uiso 1 1 calc R U . . .
C20 C 0.8229(7) -0.1371(3) 0.1398(2) 0.0826(12) Uani 1 1 d . . . . .
H20 H 0.896402 -0.159285 0.185772 0.099 Uiso 1 1 calc R U . . .
C19 C 0.7756(5) 0.0019(3) 0.12701(16) 0.0612(9) Uani 1 1 d . . . . .
H19A H 0.708291 0.023405 0.080472 0.073 Uiso 1 1 calc R U . . .
H19B H 0.913176 0.027538 0.120336 0.073 Uiso 1 1 calc R U . . .
C13 C 0.6350(5) 0.0819(3) 0.18380(14) 0.0471(7) Uani 1 1 d . . . . .
C12 C 0.7046(5) 0.0329(3) 0.26078(15) 0.0568(8) Uani 1 1 d . . . . .
H12A H 0.688607 -0.052030 0.271577 0.068 Uiso 1 1 calc R U . . .
H12B H 0.854124 0.036605 0.264844 0.068 Uiso 1 1 calc R U . . .
C11 C 0.3832(5) 0.1988(2) 0.42734(15) 0.0502(7) Uani 1 1 d . . . . .
H11A H 0.247455 0.179772 0.416751 0.060 Uiso 1 1 calc R U . . .
H11B H 0.384885 0.198680 0.480331 0.060 Uiso 1 1 calc R U . . .
C7 C 0.3990(5) 0.3256(2) 0.39127(15) 0.0436(7) Uani 1 1 d . . . . .
C6 C 0.5457(5) 0.3870(2) 0.41448(14) 0.0458(7) Uani 1 1 d . . . . .
H6 H 0.626578 0.351269 0.454097 0.055 Uiso 1 1 calc R U . . .
C5 C 0.5763(5) 0.5008(2) 0.38039(15) 0.0465(7) Uani 1 1 d . . . . .
C4 C 0.7373(5) 0.5589(3) 0.40706(16) 0.0501(7) Uani 1 1 d . . . . .
H4 H 0.802698 0.520862 0.449428 0.060 Uiso 1 1 calc R U . . .
C3 C 0.7994(5) 0.6603(3) 0.37696(17) 0.0539(8) Uani 1 1 d . . . . .
H3 H 0.734418 0.701870 0.335294 0.065 Uiso 1 1 calc R U . . .
C2 C 0.9670(5) 0.7090(3) 0.40718(19) 0.0518(8) Uani 1 1 d . . . . .
C1 C 1.1848(6) 0.8578(3) 0.3858(2) 0.0730(10) Uani 1 1 d . . . . .
H1A H 1.131922 0.894088 0.430904 0.110 Uiso 1 1 calc R U . . .
H1B H 1.215745 0.920749 0.348904 0.110 Uiso 1 1 calc R U . . .
H1C H 1.313877 0.797048 0.394097 0.110 Uiso 1 1 calc R U . . .
C21 C 0.9807(8) -0.1883(4) 0.0778(2) 0.1105(16) Uani 1 1 d . . . . .
H21A H 1.016317 -0.276657 0.085813 0.166 Uiso 1 1 calc R U . . .
H21B H 1.109358 -0.155792 0.076958 0.166 Uiso 1 1 calc R U . . .
H21C H 0.915900 -0.164854 0.031531 0.166 Uiso 1 1 calc R U . . .
C14 C 0.6621(6) 0.2181(3) 0.17086(17) 0.0656(9) Uani 1 1 d . . . . .
H14A H 0.553849 0.265662 0.202874 0.079 Uiso 1 1 calc R U . . .
H14B H 0.801333 0.221248 0.187624 0.079 Uiso 1 1 calc R U . . .
C15 C 0.6479(9) 0.2836(4) 0.0954(2) 0.1082(16) Uani 1 1 d . . . . .
H15 H 0.750949 0.233326 0.062245 0.130 Uiso 1 1 calc R U . . .
C17 C 0.7205(10) 0.4067(4) 0.0967(3) 0.163(3) Uani 1 1 d . . . . .
H17A H 0.618115 0.459634 0.126892 0.245 Uiso 1 1 calc R U . . .
H17B H 0.729146 0.445747 0.047507 0.245 Uiso 1 1 calc R U . . .
H17C H 0.859370 0.391683 0.116677 0.245 Uiso 1 1 calc R U . . .
C16 C 0.4336(13) 0.3055(5) 0.0647(3) 0.179(3) Uani 1 1 d . . . . .
H16A H 0.390150 0.228112 0.063663 0.269 Uiso 1 1 calc R U . . .
H16B H 0.441408 0.344837 0.015510 0.269 Uiso 1 1 calc R U . . .
H16C H 0.330289 0.357595 0.094958 0.269 Uiso 1 1 calc R U . . .
C8 C 0.2747(5) 0.3802(2) 0.33289(15) 0.0465(7) Uani 1 1 d . . . . .
C9 C 0.3051(5) 0.4934(3) 0.29824(15) 0.0507(7) Uani 1 1 d . . . . .
C10 C 0.4541(5) 0.5514(3) 0.32159(16) 0.0515(8) Uani 1 1 d . . . . .
H10 H 0.473228 0.626452 0.297330 0.062 Uiso 1 1 calc R U . . .
C18 C 0.4070(6) 0.0753(3) 0.1819(2) 0.0710(10) Uani 1 1 d . . . . .


_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
S1 O3 1.563(2) . ?
S1 O4 1.413(2) . ?
S1 O5 1.4192(19) . ?
S1 C11 1.774(3) . ?
Cl2 C8 1.722(3) . ?
Cl1 C9 1.728(3) . ?
O3 C12 1.452(3) . ?
O1 C2 1.333(3) . ?
O1 C1 1.447(4) . ?
O2 C2 1.200(3) . ?
N1 C18 1.125(4) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C22 C20 1.506(6) . ?
C20 H20 0.9800 . ?
C20 C19 1.510(5) . ?
C20 C21 1.524(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C13 1.541(4) . ?
C13 C12 1.523(4) . ?
C13 C14 1.553(4) . ?
C13 C18 1.471(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C7 1.514(4) . ?
C7 C6 1.383(4) . ?
C7 C8 1.393(4) . ?
C6 H6 0.9300 . ?
C6 C5 1.396(4) . ?
C5 C4 1.460(4) . ?
C5 C10 1.382(4) . ?
C4 H4 0.9300 . ?
C4 C3 1.323(4) . ?
C3 H3 0.9300 . ?
C3 C2 1.463(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.492(5) . ?
C15 H15 0.9800 . ?
C15 C17 1.539(6) . ?
C15 C16 1.482(7) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C8 C9 1.392(4) . ?
C9 C10 1.371(4) . ?
C10 H10 0.9300 . ?

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
O3 S1 C11 97.72(13) . . ?
O4 S1 O3 109.53(14) . . ?
O4 S1 O5 118.06(14) . . ?
O4 S1 C11 110.91(14) . . ?
O5 S1 O3 108.48(13) . . ?
O5 S1 C11 110.19(13) . . ?
C12 O3 S1 118.27(18) . . ?
C2 O1 C1 115.7(3) . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
C22 C20 H20 107.3 . . ?
C22 C20 C19 116.1(4) . . ?
C22 C20 C21 110.2(4) . . ?
C19 C20 H20 107.3 . . ?
C19 C20 C21 108.2(3) . . ?
C21 C20 H20 107.3 . . ?
C20 C19 H19A 107.1 . . ?
C20 C19 H19B 107.1 . . ?
C20 C19 C13 120.9(3) . . ?
H19A C19 H19B 106.8 . . ?
C13 C19 H19A 107.1 . . ?
C13 C19 H19B 107.1 . . ?
C19 C13 C14 111.5(2) . . ?
C12 C13 C19 109.2(2) . . ?
C12 C13 C14 107.6(2) . . ?
C18 C13 C19 110.7(3) . . ?
C18 C13 C12 107.6(3) . . ?
C18 C13 C14 110.2(3) . . ?
O3 C12 C13 106.3(2) . . ?
O3 C12 H12A 110.5 . . ?
O3 C12 H12B 110.5 . . ?
C13 C12 H12A 110.5 . . ?
C13 C12 H12B 110.5 . . ?
H12A C12 H12B 108.7 . . ?
S1 C11 H11A 109.3 . . ?
S1 C11 H11B 109.3 . . ?
H11A C11 H11B 107.9 . . ?
C7 C11 S1 111.74(19) . . ?
C7 C11 H11A 109.3 . . ?
C7 C11 H11B 109.3 . . ?
C6 C7 C11 119.6(3) . . ?
C6 C7 C8 118.9(2) . . ?
C8 C7 C11 121.4(3) . . ?
C7 C6 H6 118.9 . . ?
C7 C6 C5 122.2(3) . . ?
C5 C6 H6 118.9 . . ?
C6 C5 C4 119.0(3) . . ?
C10 C5 C6 117.6(3) . . ?
C10 C5 C4 123.4(3) . . ?
C5 C4 H4 116.7 . . ?
C3 C4 C5 126.5(3) . . ?
C3 C4 H4 116.7 . . ?
C4 C3 H3 119.0 . . ?
C4 C3 C2 122.1(3) . . ?
C2 C3 H3 119.0 . . ?
O1 C2 C3 110.4(3) . . ?
O2 C2 O1 123.8(3) . . ?
O2 C2 C3 125.8(3) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C13 C14 H14A 107.3 . . ?
C13 C14 H14B 107.3 . . ?
H14A C14 H14B 106.9 . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14A 107.3 . . ?
C15 C14 H14B 107.3 . . ?
C14 C15 H15 107.6 . . ?
C14 C15 C17 108.2(4) . . ?
C17 C15 H15 107.6 . . ?
C16 C15 C14 115.4(4) . . ?
C16 C15 H15 107.6 . . ?
C16 C15 C17 110.0(4) . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C7 C8 Cl2 120.9(2) . . ?
C9 C8 Cl2 119.8(2) . . ?
C9 C8 C7 119.3(3) . . ?
C8 C9 Cl1 120.5(2) . . ?
C10 C9 Cl1 118.9(2) . . ?
C10 C9 C8 120.6(3) . . ?
C5 C10 H10 119.3 . . ?
C9 C10 C5 121.4(3) . . ?
C9 C10 H10 119.3 . . ?
N1 C18 C13 178.5(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 O3 C12 C13 -179.95(19) . . . . ?
S1 C11 C7 C6 -76.8(3) . . . . ?
S1 C11 C7 C8 100.6(3) . . . . ?
Cl2 C8 C9 Cl1 -1.9(4) . . . . ?
Cl2 C8 C9 C10 179.1(2) . . . . ?
Cl1 C9 C10 C5 -179.8(2) . . . . ?
O3 S1 C11 C7 -55.2(2) . . . . ?
O4 S1 O3 C12 67.3(2) . . . . ?
O4 S1 C11 C7 59.2(2) . . . . ?
O5 S1 O3 C12 -62.8(3) . . . . ?
O5 S1 C11 C7 -168.2(2) . . . . ?
C22 C20 C19 C13 60.6(5) . . . . ?
C20 C19 C13 C12 44.9(4) . . . . ?
C20 C19 C13 C14 163.6(3) . . . . ?
C20 C19 C13 C18 -73.3(4) . . . . ?
C19 C13 C12 O3 -179.5(2) . . . . ?
C19 C13 C14 C15 48.4(4) . . . . ?
C13 C14 C15 C17 -170.0(4) . . . . ?
C13 C14 C15 C16 66.3(5) . . . . ?
C12 C13 C14 C15 168.0(3) . . . . ?
C11 S1 O3 C12 -177.2(2) . . . . ?
C11 C7 C6 C5 176.1(2) . . . . ?
C11 C7 C8 Cl2 4.5(4) . . . . ?
C11 C7 C8 C9 -175.7(3) . . . . ?
C7 C6 C5 C4 -178.8(3) . . . . ?
C7 C6 C5 C10 -0.1(4) . . . . ?
C7 C8 C9 Cl1 178.4(2) . . . . ?
C7 C8 C9 C10 -0.6(4) . . . . ?
C6 C7 C8 Cl2 -178.1(2) . . . . ?
C6 C7 C8 C9 1.6(4) . . . . ?
C6 C5 C4 C3 173.5(3) . . . . ?
C6 C5 C10 C9 1.2(4) . . . . ?
C5 C4 C3 C2 -178.3(3) . . . . ?
C4 C5 C10 C9 179.8(3) . . . . ?
C4 C3 C2 O1 170.5(3) . . . . ?
C4 C3 C2 O2 -9.3(5) . . . . ?
C1 O1 C2 O2 -1.6(4) . . . . ?
C1 O1 C2 C3 178.5(3) . . . . ?
C21 C20 C19 C13 -175.0(3) . . . . ?
C14 C13 C12 O3 59.4(3) . . . . ?
C8 C7 C6 C5 -1.3(4) . . . . ?
C8 C9 C10 C5 -0.8(5) . . . . ?
C10 C5 C4 C3 -5.1(5) . . . . ?
C18 C13 C12 O3 -59.3(3) . . . . ?
C18 C13 C14 C15 -74.9(4) . . . . ?

_olex2_exptl_crystal_mounting_method 'Nylon loop'
_olex2_submission_special_instructions 'No special instructions were received'
