# Electronic Supplementary Material (ESI) for Green 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_217nb_0m
_database_code_depnum_ccdc_archive 'CCDC 2267588'
_audit_update_record             
;
2023-06-05 deposited with the CCDC.	2023-09-22 downloaded from the CCDC.
;
_audit_creation_date             2023-02-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H16 O3 S'
_chemical_formula_sum            'C16 H16 O3 S'
_chemical_formula_weight         288.35
_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      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                   8.1900(3)
_cell_length_b                   10.9737(3)
_cell_length_c                   16.0251(5)
_cell_angle_alpha                92.8410(10)
_cell_angle_beta                 98.8500(10)
_cell_angle_gamma                91.3280(10)
_cell_volume                     1420.66(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5294
_cell_measurement_temperature    150
_cell_measurement_theta_max      28.011
_cell_measurement_theta_min      2.576
_shelx_estimated_absorpt_T_max   0.989
_shelx_estimated_absorpt_T_min   0.973
_exptl_absorpt_coefficient_mu    0.232
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.5934
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1206 before and 0.0597 after correction. The Ratio of minimum to maximum transmission is 0.7957. 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    1.348
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             608
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0557
_diffrn_reflns_av_unetI/netI     0.0745
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.942
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18935
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.217
_diffrn_reflns_theta_min         1.859
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'D8 VENTURE '
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4922
_reflns_number_total             7246
_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 V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 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         0.915
_refine_diff_density_min         -0.530
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         7246
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0973
_refine_ls_R_factor_gt           0.0571
_refine_ls_restrained_S_all      1.031
_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)+(0.0293P)²+1.4979P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_refine_ls_wR_factor_ref         0.1341
_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. Rigid bond restraints
 S1, C8
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
3. Uiso/Uaniso restraints and constraints
C8 \\sim S1: within 2A with sigma of 0.005 and sigma for terminal atoms of 0.01
4.a Aromatic/amide H refined with riding coordinates:
 C26(H26), C31(H31), C30(H30), C24(H24), C20(H20), C28(H28), C6(H6), C19(H19),
 C7(H7), C23(H23), C22(H22), C25(H25), C12(H12), C3(H3), C14(H14), C11(H11),
 C4(H4), C15(H15), C8(H8), C9(H9)
4.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C32(H32A,H32B,H32C), 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
S2 S 0.72010(8) 0.38751(5) 0.21740(4) 0.02596(15) Uani 1 1 d . . . . .
S1 S 0.60510(8) -0.12002(6) 0.21447(4) 0.03046(16) Uani 1 1 d . U . . .
O6 O 0.7910(2) 0.27870(15) 0.25238(11) 0.0345(4) Uani 1 1 d . . . . .
O1 O 0.0364(2) 0.15148(16) 0.06118(12) 0.0333(4) Uani 1 1 d . . . . .
O4 O 1.2085(2) 0.65025(16) 0.05485(11) 0.0341(4) Uani 1 1 d . . . . .
O5 O 0.5701(2) 0.37548(17) 0.15670(11) 0.0349(4) Uani 1 1 d . . . . .
O2 O 0.5499(2) -0.23019(17) 0.24672(12) 0.0406(5) Uani 1 1 d . . . . .
O3 O 0.7212(2) -0.12802(17) 0.15534(13) 0.0423(5) Uani 1 1 d . . . . .
C27 C 0.8702(3) 0.4649(2) 0.17081(14) 0.0238(5) Uani 1 1 d . . . . .
C29 C 1.1042(3) 0.5846(2) 0.09458(15) 0.0257(5) Uani 1 1 d . . . . .
C21 C 0.6971(3) 0.5416(2) 0.45301(15) 0.0264(5) Uani 1 1 d . . . . .
C5 C 0.4314(3) -0.0435(2) 0.16798(15) 0.0269(5) Uani 1 1 d . . . . .
C26 C 0.8329(3) 0.5755(2) 0.13365(15) 0.0256(5) Uani 1 1 d . . . . .
H26 H 0.727595 0.609636 0.134605 0.031 Uiso 1 1 calc R . . . .
C31 C 1.0247(3) 0.4159(2) 0.17049(15) 0.0266(5) Uani 1 1 d . . . . .
H31 H 1.049979 0.341241 0.196486 0.032 Uiso 1 1 calc R . . . .
C2 C 0.1603(3) 0.0834(2) 0.09906(15) 0.0264(5) Uani 1 1 d . . . . .
C30 C 1.1427(3) 0.4756(2) 0.13230(15) 0.0273(5) Uani 1 1 d . . . . .
H30 H 1.248581 0.442129 0.131989 0.033 Uiso 1 1 calc R . . . .
C24 C 0.7271(3) 0.4645(2) 0.37945(16) 0.0281(5) Uani 1 1 d . . . . .
H24 H 0.785297 0.391711 0.390428 0.034 Uiso 1 1 calc R . . . .
C13 C 0.9049(3) 0.1867(2) 0.59414(16) 0.0304(6) Uani 1 1 d . . . . .
C20 C 0.5823(3) 0.6332(2) 0.44790(16) 0.0293(5) Uani 1 1 d . . . . .
H20 H 0.518473 0.647852 0.394847 0.035 Uiso 1 1 calc R . . . .
C18 C 0.6542(3) 0.6871(2) 0.59760(16) 0.0303(6) Uani 1 1 d . . . . .
C28 C 0.9493(3) 0.6348(2) 0.09574(16) 0.0277(5) Uani 1 1 d . . . . .
H28 H 0.924388 0.709852 0.070292 0.033 Uiso 1 1 calc R . . . .
C6 C 0.2738(3) -0.0857(2) 0.17444(15) 0.0287(5) Uani 1 1 d . . . . .
H6 H 0.259221 -0.158503 0.202450 0.034 Uiso 1 1 calc R . . . .
C19 C 0.5597(3) 0.7036(2) 0.51945(16) 0.0311(6) Uani 1 1 d . . . . .
H19 H 0.478117 0.764100 0.514855 0.037 Uiso 1 1 calc R . . . .
C7 C 0.1366(3) -0.0224(2) 0.14032(15) 0.0274(5) Uani 1 1 d . . . . .
H7 H 0.028253 -0.051122 0.145105 0.033 Uiso 1 1 calc R . . . .
C23 C 0.7680(3) 0.5950(2) 0.60229(16) 0.0340(6) Uani 1 1 d . . . . .
H23 H 0.833824 0.581655 0.655054 0.041 Uiso 1 1 calc R . . . .
C22 C 0.7877(3) 0.5224(2) 0.53192(16) 0.0323(6) Uani 1 1 d . . . . .
H22 H 0.864179 0.458421 0.537395 0.039 Uiso 1 1 calc R . . . .
C25 C 0.6796(3) 0.4881(2) 0.29917(15) 0.0272(5) Uani 1 1 d . . . . .
H25 H 0.622806 0.560861 0.285893 0.033 Uiso 1 1 calc R . . . .
C12 C 0.9550(3) 0.2054(2) 0.51676(17) 0.0342(6) Uani 1 1 d . . . . .
H12 H 1.035630 0.267679 0.513024 0.041 Uiso 1 1 calc R . . . .
C3 C 0.3192(3) 0.1262(2) 0.09286(18) 0.0336(6) Uani 1 1 d . . . . .
H3 H 0.334131 0.199050 0.064877 0.040 Uiso 1 1 calc R . . . .
C10 C 0.7745(3) 0.0407(2) 0.44867(17) 0.0325(6) Uani 1 1 d . . . . .
C1 C -0.1279(3) 0.1212(2) 0.07473(17) 0.0333(6) Uani 1 1 d . . . . .
H1A H -0.205096 0.177919 0.045622 0.050 Uiso 1 1 calc GR . . . .
H1B H -0.133230 0.127336 0.135466 0.050 Uiso 1 1 calc GR . . . .
H1C H -0.158134 0.037622 0.052373 0.050 Uiso 1 1 calc GR . . . .
C14 C 0.7907(4) 0.0921(2) 0.59709(18) 0.0389(6) Uani 1 1 d . . . . .
H14 H 0.754649 0.076984 0.649309 0.047 Uiso 1 1 calc R . . . .
C11 C 0.8893(3) 0.1344(2) 0.44461(17) 0.0352(6) Uani 1 1 d . . . . .
H11 H 0.923273 0.150140 0.392010 0.042 Uiso 1 1 calc R . . . .
C4 C 0.4541(3) 0.0637(2) 0.12693(18) 0.0351(6) Uani 1 1 d . . . . .
H4 H 0.562385 0.093009 0.122711 0.042 Uiso 1 1 calc R . . . .
C15 C 0.7286(3) 0.0196(2) 0.52631(18) 0.0391(6) Uani 1 1 d . . . . .
H15 H 0.653137 -0.045905 0.530838 0.047 Uiso 1 1 calc R . . . .
C32 C 1.3722(3) 0.6072(3) 0.05551(18) 0.0401(7) Uani 1 1 d . . . . .
H32A H 1.433872 0.661755 0.024127 0.060 Uiso 1 1 calc GR . . . .
H32B H 1.366454 0.524610 0.028826 0.060 Uiso 1 1 calc GR . . . .
H32C H 1.428341 0.605821 0.114033 0.060 Uiso 1 1 calc GR . . . .
C8 C 0.6985(3) -0.0165(2) 0.29599(18) 0.0375(6) Uani 1 1 d . U . . .
H8 H 0.749462 0.057012 0.282376 0.045 Uiso 1 1 calc R . . . .
C9 C 0.6986(4) -0.0396(3) 0.37462(18) 0.0390(6) Uani 1 1 d . . . . .
H9 H 0.645953 -0.113776 0.385827 0.047 Uiso 1 1 calc R . . . .
C17 C 0.6324(4) 0.7660(3) 0.67490(18) 0.0426(7) Uani 1 1 d . . . . .
H17A H 0.724337 0.826155 0.687778 0.064 Uiso 1 1 calc GR . . . .
H17B H 0.631023 0.714618 0.723102 0.064 Uiso 1 1 calc GR . . . .
H17C H 0.527907 0.808375 0.663946 0.064 Uiso 1 1 calc GR . . . .
C16 C 0.9724(4) 0.2640(3) 0.67250(18) 0.0421(7) Uani 1 1 d . . . . .
H16A H 1.068209 0.312762 0.662014 0.063 Uiso 1 1 calc GR . . . .
H16B H 1.006206 0.211125 0.719234 0.063 Uiso 1 1 calc GR . . . .
H16C H 0.886876 0.318379 0.687327 0.063 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 O6 1.4407(18) . ?
S2 O5 1.4439(18) . ?
S2 C27 1.757(2) . ?
S2 C25 1.747(2) . ?
S1 O2 1.4288(19) . ?
S1 O3 1.443(2) . ?
S1 C5 1.754(2) . ?
S1 C8 1.757(3) . ?
O1 C2 1.359(3) . ?
O1 C1 1.430(3) . ?
O4 C29 1.356(3) . ?
O4 C32 1.430(3) . ?
C27 C26 1.398(3) . ?
C27 C31 1.387(3) . ?
C29 C30 1.389(3) . ?
C29 C28 1.396(3) . ?
C21 C24 1.472(3) . ?
C21 C20 1.388(3) . ?
C21 C22 1.393(3) . ?
C5 C6 1.381(3) . ?
C5 C4 1.399(4) . ?
C26 H26 0.9500 . ?
C26 C28 1.374(3) . ?
C31 H31 0.9500 . ?
C31 C30 1.389(3) . ?
C2 C7 1.389(3) . ?
C2 C3 1.393(3) . ?
C30 H30 0.9500 . ?
C24 H24 0.9500 . ?
C24 C25 1.326(3) . ?
C13 C12 1.388(4) . ?
C13 C14 1.388(4) . ?
C13 C16 1.504(3) . ?
C20 H20 0.9500 . ?
C20 C19 1.389(3) . ?
C18 C19 1.390(4) . ?
C18 C23 1.388(4) . ?
C18 C17 1.511(3) . ?
C28 H28 0.9500 . ?
C6 H6 0.9500 . ?
C6 C7 1.388(3) . ?
C19 H19 0.9500 . ?
C7 H7 0.9500 . ?
C23 H23 0.9500 . ?
C23 C22 1.380(3) . ?
C22 H22 0.9500 . ?
C25 H25 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.391(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.369(4) . ?
C10 C11 1.387(4) . ?
C10 C15 1.382(4) . ?
C10 C9 1.489(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C14 H14 0.9500 . ?
C14 C15 1.376(4) . ?
C11 H11 0.9500 . ?
C4 H4 0.9500 . ?
C15 H15 0.9500 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C8 H8 0.9500 . ?
C8 C9 1.297(4) . ?
C9 H9 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 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
O6 S2 O5 118.56(11) . . ?
O6 S2 C27 108.49(11) . . ?
O6 S2 C25 109.54(11) . . ?
O5 S2 C27 108.13(11) . . ?
O5 S2 C25 106.65(11) . . ?
C25 S2 C27 104.59(11) . . ?
O2 S1 O3 118.50(12) . . ?
O2 S1 C5 108.44(12) . . ?
O2 S1 C8 111.78(13) . . ?
O3 S1 C5 108.54(12) . . ?
O3 S1 C8 104.94(13) . . ?
C5 S1 C8 103.60(12) . . ?
C2 O1 C1 117.31(19) . . ?
C29 O4 C32 117.7(2) . . ?
C26 C27 S2 119.76(18) . . ?
C31 C27 S2 120.05(18) . . ?
C31 C27 C26 120.2(2) . . ?
O4 C29 C30 124.5(2) . . ?
O4 C29 C28 115.0(2) . . ?
C30 C29 C28 120.5(2) . . ?
C20 C21 C24 123.3(2) . . ?
C20 C21 C22 118.0(2) . . ?
C22 C21 C24 118.8(2) . . ?
C6 C5 S1 120.62(19) . . ?
C6 C5 C4 120.1(2) . . ?
C4 C5 S1 119.21(19) . . ?
C27 C26 H26 120.2 . . ?
C28 C26 C27 119.7(2) . . ?
C28 C26 H26 120.2 . . ?
C27 C31 H31 119.9 . . ?
C27 C31 C30 120.2(2) . . ?
C30 C31 H31 119.9 . . ?
O1 C2 C7 124.5(2) . . ?
O1 C2 C3 114.9(2) . . ?
C7 C2 C3 120.6(2) . . ?
C29 C30 C31 119.3(2) . . ?
C29 C30 H30 120.4 . . ?
C31 C30 H30 120.4 . . ?
C21 C24 H24 117.3 . . ?
C25 C24 C21 125.5(2) . . ?
C25 C24 H24 117.3 . . ?
C12 C13 C14 117.4(2) . . ?
C12 C13 C16 121.9(2) . . ?
C14 C13 C16 120.7(2) . . ?
C21 C20 H20 119.6 . . ?
C21 C20 C19 120.8(2) . . ?
C19 C20 H20 119.6 . . ?
C19 C18 C17 121.1(2) . . ?
C23 C18 C19 117.7(2) . . ?
C23 C18 C17 121.2(2) . . ?
C29 C28 H28 120.0 . . ?
C26 C28 C29 120.1(2) . . ?
C26 C28 H28 120.0 . . ?
C5 C6 H6 119.7 . . ?
C5 C6 C7 120.5(2) . . ?
C7 C6 H6 119.7 . . ?
C20 C19 C18 121.2(2) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C2 C7 H7 120.5 . . ?
C6 C7 C2 118.9(2) . . ?
C6 C7 H7 120.5 . . ?
C18 C23 H23 119.3 . . ?
C22 C23 C18 121.4(2) . . ?
C22 C23 H23 119.3 . . ?
C21 C22 H22 119.5 . . ?
C23 C22 C21 120.9(2) . . ?
C23 C22 H22 119.5 . . ?
S2 C25 H25 119.5 . . ?
C24 C25 S2 121.0(2) . . ?
C24 C25 H25 119.5 . . ?
C13 C12 H12 119.4 . . ?
C13 C12 C11 121.1(2) . . ?
C11 C12 H12 119.4 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.2(2) . . ?
C4 C3 H3 119.9 . . ?
C11 C10 C9 124.0(3) . . ?
C15 C10 C11 118.2(2) . . ?
C15 C10 C9 117.8(2) . . ?
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 . . ?
C13 C14 H14 119.2 . . ?
C15 C14 C13 121.7(3) . . ?
C15 C14 H14 119.2 . . ?
C12 C11 H11 119.7 . . ?
C10 C11 C12 120.7(3) . . ?
C10 C11 H11 119.7 . . ?
C5 C4 H4 120.2 . . ?
C3 C4 C5 119.6(2) . . ?
C3 C4 H4 120.2 . . ?
C10 C15 H15 119.5 . . ?
C14 C15 C10 120.9(3) . . ?
C14 C15 H15 119.5 . . ?
O4 C32 H32A 109.5 . . ?
O4 C32 H32B 109.5 . . ?
O4 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
S1 C8 H8 119.7 . . ?
C9 C8 S1 120.6(2) . . ?
C9 C8 H8 119.7 . . ?
C10 C9 H9 117.4 . . ?
C8 C9 C10 125.3(3) . . ?
C8 C9 H9 117.4 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?


_olex2_submission_special_instructions 'No special instructions were received'
