# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# 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_9nova_0m
_database_code_depnum_ccdc_archive 'CCDC 2126607'
loop_
_audit_author_name
_audit_author_address
'Shivani Arora'
;IIT Kanpur 
India
;
_audit_update_record             
;
2021-12-06 deposited with the CCDC.	2023-05-26 downloaded from the CCDC.
;
_audit_creation_date             2021-12-06
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2018.07.26 svn.r3523 for OlexSys, GUI svn.r5532)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H35 Cl O3 S2'
_chemical_formula_sum            'C32 H35 Cl O3 S2'
_chemical_formula_weight         567.17
_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                   10.3448(6)
_cell_length_b                   12.6474(7)
_cell_length_c                   13.0332(8)
_cell_angle_alpha                61.943(2)
_cell_angle_beta                 71.660(2)
_cell_angle_gamma                74.099(2)
_cell_volume                     1412.12(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9663
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.940
_shelx_estimated_absorpt_T_min   0.911
_exptl_absorpt_coefficient_mu    0.316
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6153
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0954 before and 0.0663 after correction. The Ratio of minimum to maximum transmission is 0.8251. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_av_unetI/netI     0.0611
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21388
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.347
_diffrn_reflns_theta_min         2.098
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_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_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5439
_reflns_number_total             6997
_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 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.416
_refine_diff_density_min         -0.662
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         6997
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0774
_refine_ls_R_factor_gt           0.0542
_refine_ls_restrained_S_all      1.108
_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)+(0.0152P)²+1.9230P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1037
_refine_ls_wR_factor_ref         0.1166
_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 Ternary CH refined with riding coordinates:
 C4(H4), C18(H18)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C1(H1A,H1B)
2.c Aromatic/amide H refined with riding coordinates:
 C20(H20), C32(H32), C16(H16), C7(H7), C11(H11), C13(H13), C8(H8), C14(H14),
 C10(H10), C15(H15)
2.d Tetrahedral OH refined with riding coordinates:
 O3(H3)
2.e Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C29(H29A,H29B,H29C), C25(H25A,H25B,
 H25C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C)
;
_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 0.87620(6) 0.49342(5) 0.39345(5) 0.01572(13) Uani 1 1 d . . . . .
S1 S 1.03890(6) 0.48855(6) 0.16486(5) 0.01801(13) Uani 1 1 d . . . . .
Cl1 Cl 1.18192(8) -0.02367(7) 0.05399(7) 0.03482(18) Uani 1 1 d . . . . .
O1 O 0.79542(16) 0.61649(14) 0.18536(14) 0.0157(3) Uani 1 1 d . . . . .
O2 O 0.85485(17) 0.22447(15) 0.43587(14) 0.0204(4) Uani 1 1 d . . . . .
O3 O 0.28966(18) 0.14676(17) 0.33169(16) 0.0249(4) Uani 1 1 d . . . . .
H3 H 0.310852 0.071865 0.370245 0.037 Uiso 1 1 calc R . . . .
C19 C 0.5539(2) 0.3360(2) 0.3399(2) 0.0133(4) Uani 1 1 d . . . . .
C20 C 0.4650(2) 0.2720(2) 0.4435(2) 0.0133(4) Uani 1 1 d . . . . .
H20 H 0.466343 0.271620 0.516205 0.016 Uiso 1 1 calc R . . . .
C32 C 0.5556(2) 0.3325(2) 0.2343(2) 0.0148(4) Uani 1 1 d . . . . .
H32 H 0.616650 0.376059 0.163227 0.018 Uiso 1 1 calc R . . . .
C12 C 0.6538(2) 0.6375(2) 0.2277(2) 0.0141(4) Uani 1 1 d . . . . .
C27 C 0.4705(2) 0.2668(2) 0.2293(2) 0.0141(4) Uani 1 1 d . . . . .
C3 C 0.8641(2) 0.5005(2) 0.25359(19) 0.0136(4) Uani 1 1 d . . . . .
C17 C 0.5761(2) 0.5444(2) 0.3040(2) 0.0150(4) Uani 1 1 d . . . . .
C4 C 0.7902(2) 0.4016(2) 0.2705(2) 0.0143(4) Uani 1 1 d . . . . .
H4 H 0.784361 0.415333 0.189907 0.017 Uiso 1 1 calc R . . . .
C26 C 0.3786(2) 0.2076(2) 0.3357(2) 0.0150(4) Uani 1 1 d . . . . .
C22 C 0.2708(2) 0.1433(2) 0.5592(2) 0.0148(4) Uani 1 1 d . . . . .
C16 C 0.4351(2) 0.5773(2) 0.3423(2) 0.0192(5) Uani 1 1 d . . . . .
H16 H 0.379709 0.515699 0.395698 0.023 Uiso 1 1 calc R . . . .
C6 C 0.9501(2) 0.2070(2) 0.2537(2) 0.0161(5) Uani 1 1 d . . . . .
C28 C 0.4781(2) 0.2601(2) 0.1124(2) 0.0160(5) Uani 1 1 d . . . . .
C21 C 0.3735(2) 0.2080(2) 0.4447(2) 0.0139(4) Uani 1 1 d . . . . .
C5 C 0.8658(2) 0.2731(2) 0.3282(2) 0.0161(5) Uani 1 1 d . . . . .
C2 C 1.0206(2) 0.5771(2) 0.3219(2) 0.0206(5) Uani 1 1 d . . . . .
H2A H 0.990593 0.662320 0.269782 0.025 Uiso 1 1 calc R . . . .
H2B H 1.059757 0.576404 0.382471 0.025 Uiso 1 1 calc R . . . .
C18 C 0.6417(2) 0.4123(2) 0.34420(19) 0.0135(4) Uani 1 1 d . . . . .
H18 H 0.647179 0.381155 0.429102 0.016 Uiso 1 1 calc R . . . .
C23 C 0.2879(2) 0.1574(2) 0.6646(2) 0.0184(5) Uani 1 1 d . . . . .
H23A H 0.381254 0.121367 0.677926 0.028 Uiso 1 1 calc GR . . . .
H23B H 0.220620 0.116234 0.736233 0.028 Uiso 1 1 calc GR . . . .
H23C H 0.272805 0.243671 0.646844 0.028 Uiso 1 1 calc GR . . . .
C7 C 1.0273(2) 0.0946(2) 0.3093(2) 0.0184(5) Uani 1 1 d . . . . .
H7 H 1.029348 0.065907 0.390607 0.022 Uiso 1 1 calc R . . . .
C11 C 0.9509(3) 0.2481(2) 0.1335(2) 0.0207(5) Uani 1 1 d . . . . .
H11 H 0.901251 0.325258 0.093551 0.025 Uiso 1 1 calc R . . . .
C13 C 0.5934(2) 0.7589(2) 0.1859(2) 0.0172(5) Uani 1 1 d . . . . .
H13 H 0.648017 0.820812 0.131522 0.021 Uiso 1 1 calc R . . . .
C24 C 0.1226(2) 0.2010(2) 0.5442(2) 0.0200(5) Uani 1 1 d . . . . .
H24A H 0.111760 0.288356 0.519993 0.030 Uiso 1 1 calc GR . . . .
H24B H 0.057912 0.164572 0.619955 0.030 Uiso 1 1 calc GR . . . .
H24C H 0.103613 0.186724 0.482952 0.030 Uiso 1 1 calc GR . . . .
C8 C 1.1008(2) 0.0244(2) 0.2483(2) 0.0218(5) Uani 1 1 d . . . . .
H8 H 1.154069 -0.051147 0.286716 0.026 Uiso 1 1 calc R . . . .
C1 C 1.1274(2) 0.5154(2) 0.2487(2) 0.0217(5) Uani 1 1 d . . . . .
H1A H 1.173132 0.437646 0.301774 0.026 Uiso 1 1 calc R . . . .
H1B H 1.198366 0.567697 0.193758 0.026 Uiso 1 1 calc R . . . .
C29 C 0.3412(2) 0.3212(2) 0.0714(2) 0.0209(5) Uani 1 1 d . . . . .
H29A H 0.266283 0.278430 0.132053 0.031 Uiso 1 1 calc GR . . . .
H29B H 0.348016 0.318291 -0.003959 0.031 Uiso 1 1 calc GR . . . .
H29C H 0.322257 0.405890 0.060016 0.031 Uiso 1 1 calc GR . . . .
C14 C 0.4537(3) 0.7883(2) 0.2244(2) 0.0201(5) Uani 1 1 d . . . . .
H14 H 0.411854 0.870760 0.196195 0.024 Uiso 1 1 calc R . . . .
C25 C 0.2942(3) 0.0058(2) 0.5942(2) 0.0209(5) Uani 1 1 d . . . . .
H25A H 0.274087 -0.008297 0.533391 0.031 Uiso 1 1 calc GR . . . .
H25B H 0.233060 -0.033998 0.671268 0.031 Uiso 1 1 calc GR . . . .
H25C H 0.390250 -0.027735 0.600307 0.031 Uiso 1 1 calc GR . . . .
C30 C 0.5107(3) 0.1271(2) 0.1286(2) 0.0233(5) Uani 1 1 d . . . . .
H30A H 0.598965 0.089671 0.152830 0.035 Uiso 1 1 calc GR . . . .
H30B H 0.516317 0.124867 0.053216 0.035 Uiso 1 1 calc GR . . . .
H30C H 0.437631 0.082462 0.190184 0.035 Uiso 1 1 calc GR . . . .
C10 C 1.0233(3) 0.1780(2) 0.0718(2) 0.0255(6) Uani 1 1 d . . . . .
H10 H 1.023198 0.206622 -0.009924 0.031 Uiso 1 1 calc R . . . .
C9 C 1.0955(3) 0.0660(2) 0.1303(2) 0.0226(5) Uani 1 1 d . . . . .
C15 C 0.3742(3) 0.6978(2) 0.3042(2) 0.0224(5) Uani 1 1 d . . . . .
H15 H 0.278509 0.718327 0.332482 0.027 Uiso 1 1 calc R . . . .
C31 C 0.5926(2) 0.3247(2) 0.0105(2) 0.0208(5) Uani 1 1 d . . . . .
H31A H 0.574371 0.410854 -0.006145 0.031 Uiso 1 1 calc GR . . . .
H31B H 0.594942 0.316163 -0.061011 0.031 Uiso 1 1 calc GR . . . .
H31C H 0.681476 0.288391 0.033626 0.031 Uiso 1 1 calc GR . . . .


_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 C3 1.825(2) . ?
S2 C2 1.812(2) . ?
S1 C3 1.824(2) . ?
S1 C1 1.816(2) . ?
Cl1 C9 1.738(3) . ?
O1 C12 1.392(3) . ?
O1 C3 1.431(3) . ?
O2 C5 1.219(3) . ?
O3 H3 0.8400 . ?
O3 C26 1.378(3) . ?
C19 C20 1.387(3) . ?
C19 C32 1.393(3) . ?
C19 C18 1.524(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.396(3) . ?
C32 H32 0.9500 . ?
C32 C27 1.398(3) . ?
C12 C17 1.391(3) . ?
C12 C13 1.395(3) . ?
C27 C26 1.404(3) . ?
C27 C28 1.542(3) . ?
C3 C4 1.536(3) . ?
C17 C16 1.398(3) . ?
C17 C18 1.518(3) . ?
C4 H4 1.0000 . ?
C4 C5 1.530(3) . ?
C4 C18 1.543(3) . ?
C26 C21 1.407(3) . ?
C22 C21 1.535(3) . ?
C22 C23 1.533(3) . ?
C22 C24 1.538(3) . ?
C22 C25 1.544(3) . ?
C16 H16 0.9500 . ?
C16 C15 1.388(3) . ?
C6 C5 1.495(3) . ?
C6 C7 1.399(3) . ?
C6 C11 1.396(3) . ?
C28 C29 1.542(3) . ?
C28 C30 1.545(3) . ?
C28 C31 1.534(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C1 1.517(3) . ?
C18 H18 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C7 H7 0.9500 . ?
C7 C8 1.382(3) . ?
C11 H11 0.9500 . ?
C11 C10 1.387(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.379(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C8 H8 0.9500 . ?
C8 C9 1.387(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C14 H14 0.9500 . ?
C14 C15 1.388(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C10 H10 0.9500 . ?
C10 C9 1.381(4) . ?
C15 H15 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?

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
C2 S2 C3 92.73(11) . . ?
C1 S1 C3 98.60(11) . . ?
C12 O1 C3 115.44(17) . . ?
C26 O3 H3 109.5 . . ?
C20 C19 C32 118.7(2) . . ?
C20 C19 C18 119.0(2) . . ?
C32 C19 C18 122.2(2) . . ?
C19 C20 H20 118.8 . . ?
C19 C20 C21 122.3(2) . . ?
C21 C20 H20 118.8 . . ?
C19 C32 H32 118.9 . . ?
C19 C32 C27 122.2(2) . . ?
C27 C32 H32 118.9 . . ?
O1 C12 C13 115.41(19) . . ?
C17 C12 O1 122.8(2) . . ?
C17 C12 C13 121.8(2) . . ?
C32 C27 C26 116.7(2) . . ?
C32 C27 C28 121.3(2) . . ?
C26 C27 C28 121.9(2) . . ?
S1 C3 S2 107.62(11) . . ?
O1 C3 S2 110.68(15) . . ?
O1 C3 S1 105.66(14) . . ?
O1 C3 C4 108.89(17) . . ?
C4 C3 S2 113.49(15) . . ?
C4 C3 S1 110.21(15) . . ?
C12 C17 C16 117.3(2) . . ?
C12 C17 C18 121.4(2) . . ?
C16 C17 C18 121.2(2) . . ?
C3 C4 H4 107.6 . . ?
C3 C4 C18 110.40(18) . . ?
C5 C4 C3 113.47(18) . . ?
C5 C4 H4 107.6 . . ?
C5 C4 C18 109.83(18) . . ?
C18 C4 H4 107.6 . . ?
O3 C26 C27 117.7(2) . . ?
O3 C26 C21 119.2(2) . . ?
C27 C26 C21 123.1(2) . . ?
C21 C22 C24 109.91(19) . . ?
C21 C22 C25 111.42(19) . . ?
C23 C22 C21 111.03(18) . . ?
C23 C22 C24 106.46(19) . . ?
C23 C22 C25 106.42(19) . . ?
C24 C22 C25 111.45(19) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 C17 121.5(2) . . ?
C15 C16 H16 119.3 . . ?
C7 C6 C5 117.9(2) . . ?
C11 C6 C5 123.8(2) . . ?
C11 C6 C7 118.3(2) . . ?
C27 C28 C30 110.75(19) . . ?
C29 C28 C27 110.19(19) . . ?
C29 C28 C30 110.11(19) . . ?
C31 C28 C27 112.46(19) . . ?
C31 C28 C29 107.13(19) . . ?
C31 C28 C30 106.07(19) . . ?
C20 C21 C26 116.8(2) . . ?
C20 C21 C22 121.4(2) . . ?
C26 C21 C22 121.84(19) . . ?
O2 C5 C4 119.3(2) . . ?
O2 C5 C6 120.3(2) . . ?
C6 C5 C4 120.4(2) . . ?
S2 C2 H2A 110.3 . . ?
S2 C2 H2B 110.3 . . ?
H2A C2 H2B 108.5 . . ?
C1 C2 S2 107.11(17) . . ?
C1 C2 H2A 110.3 . . ?
C1 C2 H2B 110.3 . . ?
C19 C18 C4 112.40(18) . . ?
C19 C18 H18 107.5 . . ?
C17 C18 C19 111.48(18) . . ?
C17 C18 C4 110.15(18) . . ?
C17 C18 H18 107.5 . . ?
C4 C18 H18 107.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C6 C7 H7 119.4 . . ?
C8 C7 C6 121.3(2) . . ?
C8 C7 H7 119.4 . . ?
C6 C11 H11 119.6 . . ?
C10 C11 C6 120.9(2) . . ?
C10 C11 H11 119.6 . . ?
C12 C13 H13 120.3 . . ?
C14 C13 C12 119.4(2) . . ?
C14 C13 H13 120.3 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C7 C8 H8 120.5 . . ?
C7 C8 C9 119.0(2) . . ?
C9 C8 H8 120.5 . . ?
S1 C1 H1A 110.2 . . ?
S1 C1 H1B 110.2 . . ?
C2 C1 S1 107.71(16) . . ?
C2 C1 H1A 110.2 . . ?
C2 C1 H1B 110.2 . . ?
H1A C1 H1B 108.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.2(2) . . ?
C15 C14 H14 119.9 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C11 C10 H10 120.3 . . ?
C9 C10 C11 119.3(2) . . ?
C9 C10 H10 120.3 . . ?
C8 C9 Cl1 119.6(2) . . ?
C10 C9 Cl1 119.2(2) . . ?
C10 C9 C8 121.2(2) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 C16 119.7(2) . . ?
C14 C15 H15 120.2 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
