# Supplementary Information (SI) for ChemComm.
# 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_ygf_1341_2_0m
_database_code_depnum_ccdc_archive 'CCDC 2487148'
loop_
_audit_author_name
_audit_author_address
ygf
;Nanjing university
China
;
_audit_update_record             
;
2025-09-11 deposited with the CCDC.	2026-05-13 downloaded from the CCDC.
;
_audit_creation_date             2025-09-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H22 Cl N O2 S'
_chemical_formula_sum            'C17 H22 Cl N O2 S'
_chemical_formula_weight         339.86
_chemical_absolute_configuration ad
_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      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                   6.1820(7)
_cell_length_b                   10.2582(12)
_cell_length_c                   28.320(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1796.0(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4123
_cell_measurement_temperature    223.00
_cell_measurement_theta_max      24.291
_cell_measurement_theta_min      2.451
_shelx_estimated_absorpt_T_max   0.964
_shelx_estimated_absorpt_T_min   0.958
_exptl_absorpt_coefficient_mu    0.335
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5795
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1252 before and 0.0677 after correction.
The Ratio of minimum to maximum transmission is 0.7776.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0496
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            11689
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.345
_diffrn_reflns_theta_min         2.112
_diffrn_ambient_temperature      223.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           40.0
_diffrn_source_power             1.8
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.701
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                2666
_reflns_number_total             3300
_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  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.453
_refine_diff_density_min         -0.213
_refine_diff_density_rms         0.054
_refine_ls_abs_structure_details 
;
 Flack x determined using 844 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.04(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     203
_refine_ls_number_reflns         3300
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0579
_refine_ls_restrained_S_all      1.062
_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)+(0.0537P)²+1.5522P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1458
_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 Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C)
;
_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
Cl1 Cl 0.0709(3) 0.34868(15) 0.49292(6) 0.0659(5) Uani 1 1 d . . . . .
S1 S 0.4961(2) 0.71095(14) 0.39390(5) 0.0447(4) Uani 1 1 d . . . . .
O1 O 0.6731(6) 0.7538(4) 0.42335(13) 0.0584(12) Uani 1 1 d . . . . .
O2 O 0.7242(8) 0.4923(5) 0.36352(17) 0.0761(15) Uani 1 1 d . . . . .
N1 N 0.5333(8) 0.6739(5) 0.34125(16) 0.0529(13) Uani 1 1 d . . . . .
C1 C -0.1530(14) 1.1465(8) 0.3786(3) 0.084(2) Uani 1 1 d . . . . .
H1A H -0.104781 1.207494 0.354639 0.126 Uiso 1 1 calc R U . . .
H1B H -0.163926 1.190903 0.408727 0.126 Uiso 1 1 calc R U . . .
H1C H -0.293437 1.111851 0.369879 0.126 Uiso 1 1 calc R U . . .
C2 C 0.0062(12) 1.0372(6) 0.3825(2) 0.0572(15) Uani 1 1 d . . . . .
C3 C 0.1799(14) 1.0446(7) 0.4129(2) 0.0671(19) Uani 1 1 d . . . . .
H3 H 0.196757 1.119254 0.431790 0.080 Uiso 1 1 calc R U . . .
C4 C 0.3292(12) 0.9455(6) 0.4163(2) 0.0584(17) Uani 1 1 d . . . . .
H4 H 0.445884 0.952269 0.437458 0.070 Uiso 1 1 calc R U . . .
C5 C 0.3059(9) 0.8368(5) 0.38859(18) 0.0430(13) Uani 1 1 d . . . . .
C6 C 0.1323(10) 0.8275(6) 0.3579(2) 0.0500(15) Uani 1 1 d . . . . .
H6 H 0.115567 0.752783 0.339051 0.060 Uiso 1 1 calc R U . . .
C7 C -0.0141(11) 0.9260(6) 0.3549(2) 0.0544(15) Uani 1 1 d . . . . .
H7 H -0.130963 0.918643 0.333844 0.065 Uiso 1 1 calc R U . . .
C8 C 0.2127(10) 0.4666(6) 0.4603(2) 0.0471(14) Uani 1 1 d . . . . .
C9 C 0.3559(9) 0.5876(5) 0.42575(18) 0.0403(13) Uani 1 1 d . . . . .
C10 C 0.1779(14) 0.6138(7) 0.4629(3) 0.083(3) Uani 1 1 d . . . . .
H10A H 0.224291 0.656802 0.492058 0.100 Uiso 1 1 calc R U . . .
H10B H 0.039488 0.646361 0.450803 0.100 Uiso 1 1 calc R U . . .
C11 C 0.4542(12) 0.4894(9) 0.4594(3) 0.083(2) Uani 1 1 d . . . . .
H11A H 0.541902 0.420381 0.445100 0.100 Uiso 1 1 calc R U . . .
H11B H 0.518001 0.524992 0.488391 0.100 Uiso 1 1 calc R U . . .
C12 C 0.2161(14) 0.4785(8) 0.4065(2) 0.078(2) Uani 1 1 d . . . . .
H12A H 0.291657 0.409131 0.389411 0.093 Uiso 1 1 calc R U . . .
H12B H 0.080023 0.504796 0.391555 0.093 Uiso 1 1 calc R U . . .
C13 C 0.6463(9) 0.5642(6) 0.3328(2) 0.0508(15) Uani 1 1 d . . . . .
C14 C 0.6707(10) 0.5304(6) 0.2803(2) 0.0526(15) Uani 1 1 d . . . . .
C15 C 0.7979(16) 0.6372(8) 0.2557(3) 0.091(3) Uani 1 1 d . . . . .
H15A H 0.740106 0.721620 0.264589 0.136 Uiso 1 1 calc R U . . .
H15B H 0.786048 0.626315 0.221740 0.136 Uiso 1 1 calc R U . . .
H15C H 0.948719 0.631968 0.264905 0.136 Uiso 1 1 calc R U . . .
C16 C 0.4465(13) 0.5195(10) 0.2581(3) 0.096(3) Uani 1 1 d . . . . .
H16A H 0.358727 0.459629 0.276405 0.145 Uiso 1 1 calc R U . . .
H16B H 0.460027 0.487267 0.226015 0.145 Uiso 1 1 calc R U . . .
H16C H 0.378321 0.604649 0.257677 0.145 Uiso 1 1 calc R U . . .
C17 C 0.7880(17) 0.4024(8) 0.2756(3) 0.097(3) Uani 1 1 d . . . . .
H17A H 0.934606 0.411735 0.287364 0.146 Uiso 1 1 calc R U . . .
H17B H 0.791961 0.376812 0.242657 0.146 Uiso 1 1 calc R U . . .
H17C H 0.713094 0.336183 0.293797 0.146 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
Cl1 C8 1.757(6) . ?
S1 O1 1.445(4) . ?
S1 N1 1.556(5) . ?
S1 C5 1.753(6) . ?
S1 C9 1.780(6) . ?
O2 C13 1.238(7) . ?
N1 C13 1.346(8) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 H1C 0.9700 . ?
C1 C2 1.495(10) . ?
C2 C3 1.379(10) . ?
C2 C7 1.388(8) . ?
C3 H3 0.9400 . ?
C3 C4 1.376(10) . ?
C4 H4 0.9400 . ?
C4 C5 1.371(8) . ?
C5 C6 1.384(8) . ?
C6 H6 0.9400 . ?
C6 C7 1.359(8) . ?
C7 H7 0.9400 . ?
C8 C9 1.811(8) . ?
C8 C10 1.527(9) . ?
C8 C11 1.511(9) . ?
C8 C12 1.528(9) . ?
C9 C10 1.545(8) . ?
C9 C11 1.515(8) . ?
C9 C12 1.515(9) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C13 C14 1.533(8) . ?
C14 C15 1.519(10) . ?
C14 C16 1.527(9) . ?
C14 C17 1.506(9) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 H17C 0.9700 . ?

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
O1 S1 N1 121.0(3) . . ?
O1 S1 C5 109.5(3) . . ?
O1 S1 C9 107.0(3) . . ?
N1 S1 C5 101.4(3) . . ?
N1 S1 C9 112.6(3) . . ?
C5 S1 C9 103.9(3) . . ?
C13 N1 S1 116.8(4) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C3 C2 C1 121.1(6) . . ?
C3 C2 C7 117.8(6) . . ?
C7 C2 C1 121.0(7) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.7(6) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.3(6) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 S1 118.6(5) . . ?
C4 C5 C6 119.8(6) . . ?
C6 C5 S1 121.6(4) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.3(6) . . ?
C7 C6 H6 119.9 . . ?
C2 C7 H7 119.5 . . ?
C6 C7 C2 121.1(6) . . ?
C6 C7 H7 119.5 . . ?
Cl1 C8 C9 178.9(4) . . ?
C10 C8 Cl1 125.9(4) . . ?
C10 C8 C9 54.4(4) . . ?
C10 C8 C12 88.3(5) . . ?
C11 C8 Cl1 127.5(5) . . ?
C11 C8 C9 53.3(4) . . ?
C11 C8 C10 89.3(6) . . ?
C11 C8 C12 87.6(5) . . ?
C12 C8 Cl1 125.8(5) . . ?
C12 C8 C9 53.1(4) . . ?
S1 C9 C8 177.5(4) . . ?
C10 C9 S1 124.6(4) . . ?
C10 C9 C8 53.4(3) . . ?
C11 C9 S1 126.6(5) . . ?
C11 C9 C8 53.2(4) . . ?
C11 C9 C10 88.4(5) . . ?
C12 C9 S1 128.4(4) . . ?
C12 C9 C8 53.8(4) . . ?
C12 C9 C10 88.1(5) . . ?
C12 C9 C11 88.0(5) . . ?
C8 C10 C9 72.3(4) . . ?
C8 C10 H10A 116.3 . . ?
C8 C10 H10B 116.3 . . ?
C9 C10 H10A 116.3 . . ?
C9 C10 H10B 116.3 . . ?
H10A C10 H10B 113.3 . . ?
C8 C11 C9 73.5(5) . . ?
C8 C11 H11A 116.2 . . ?
C8 C11 H11B 116.2 . . ?
C9 C11 H11A 116.2 . . ?
C9 C11 H11B 116.2 . . ?
H11A C11 H11B 113.2 . . ?
C8 C12 H12A 116.2 . . ?
C8 C12 H12B 116.2 . . ?
C9 C12 C8 73.1(4) . . ?
C9 C12 H12A 116.2 . . ?
C9 C12 H12B 116.2 . . ?
H12A C12 H12B 113.2 . . ?
O2 C13 N1 125.1(6) . . ?
O2 C13 C14 120.5(6) . . ?
N1 C13 C14 114.4(5) . . ?
C15 C14 C13 109.5(6) . . ?
C15 C14 C16 109.4(7) . . ?
C16 C14 C13 109.1(5) . . ?
C17 C14 C13 109.3(5) . . ?
C17 C14 C15 109.8(6) . . ?
C17 C14 C16 109.7(7) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 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
Cl1 C8 C10 C9 -178.7(5) . . . . ?
Cl1 C8 C11 C9 179.1(5) . . . . ?
Cl1 C8 C12 C9 179.6(5) . . . . ?
S1 N1 C13 O2 -0.9(8) . . . . ?
S1 N1 C13 C14 178.0(4) . . . . ?
S1 C5 C6 C7 179.2(4) . . . . ?
S1 C9 C10 C8 -178.3(5) . . . . ?
S1 C9 C11 C8 176.9(5) . . . . ?
S1 C9 C12 C8 -178.7(5) . . . . ?
O1 S1 N1 C13 69.4(5) . . . . ?
O1 S1 C5 C4 -8.8(5) . . . . ?
O1 S1 C5 C6 172.4(4) . . . . ?
O1 S1 C9 C10 84.7(6) . . . . ?
O1 S1 C9 C11 -33.4(6) . . . . ?
O1 S1 C9 C12 -155.6(6) . . . . ?
O2 C13 C14 C15 -118.1(7) . . . . ?
O2 C13 C14 C16 122.1(7) . . . . ?
O2 C13 C14 C17 2.2(9) . . . . ?
N1 S1 C5 C4 -137.8(5) . . . . ?
N1 S1 C5 C6 43.4(5) . . . . ?
N1 S1 C9 C10 -139.9(6) . . . . ?
N1 S1 C9 C11 101.9(6) . . . . ?
N1 S1 C9 C12 -20.3(7) . . . . ?
N1 C13 C14 C15 63.0(7) . . . . ?
N1 C13 C14 C16 -56.8(8) . . . . ?
N1 C13 C14 C17 -176.7(6) . . . . ?
C1 C2 C3 C4 -179.1(7) . . . . ?
C1 C2 C7 C6 179.0(6) . . . . ?
C2 C3 C4 C5 0.4(11) . . . . ?
C3 C2 C7 C6 0.1(9) . . . . ?
C3 C4 C5 S1 -179.4(5) . . . . ?
C3 C4 C5 C6 -0.6(9) . . . . ?
C4 C5 C6 C7 0.5(9) . . . . ?
C5 S1 N1 C13 -169.4(4) . . . . ?
C5 S1 C9 C10 -31.1(6) . . . . ?
C5 S1 C9 C11 -149.2(6) . . . . ?
C5 S1 C9 C12 88.6(6) . . . . ?
C5 C6 C7 C2 -0.3(9) . . . . ?
C7 C2 C3 C4 -0.2(10) . . . . ?
C9 S1 N1 C13 -58.9(5) . . . . ?
C9 S1 C5 C4 105.2(5) . . . . ?
C9 S1 C5 C6 -73.5(5) . . . . ?
C10 C8 C9 C11 121.0(8) . . . . ?
C10 C8 C9 C12 -119.5(7) . . . . ?
C10 C8 C11 C9 -44.2(5) . . . . ?
C10 C8 C12 C9 45.1(5) . . . . ?
C10 C9 C11 C8 43.5(5) . . . . ?
C10 C9 C12 C8 -44.4(5) . . . . ?
C11 C8 C9 C10 -121.0(8) . . . . ?
C11 C8 C9 C12 119.6(7) . . . . ?
C11 C8 C10 C9 43.4(5) . . . . ?
C11 C8 C12 C9 -44.3(5) . . . . ?
C11 C9 C10 C8 -43.3(6) . . . . ?
C11 C9 C12 C8 44.2(5) . . . . ?
C12 C8 C9 C10 119.5(7) . . . . ?
C12 C8 C9 C11 -119.6(7) . . . . ?
C12 C8 C10 C9 -44.2(5) . . . . ?
C12 C8 C11 C9 44.1(5) . . . . ?
C12 C9 C10 C8 44.7(5) . . . . ?
C12 C9 C11 C8 -44.6(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
