# Supplementary Information (SI) for Journal of Materials Chemistry C.
# 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_ywq
_database_code_depnum_ccdc_archive 'CCDC 2533421'
loop_
_audit_author_name
_audit_author_address
BTAA-Et
;Qilu University of Technology
China
;
_audit_update_record             
;
2026-02-26 deposited with the CCDC.	2026-03-23 downloaded from the CCDC.
;
_audit_creation_date             2025-12-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.04.05 svn.rf049d14d for OlexSys, GUI svn.r7224)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        
4-((bis(benzo[d]thiazol-2-yl)methylene)amino)-N,N-diethylaniline
_chemical_formula_moiety         'C25 H22 N4 S2'
_chemical_formula_sum            'C25 H22 N4 S2'
_chemical_formula_weight         442.58
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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                   8.304(5)
_cell_length_b                   23.462(13)
_cell_length_c                   11.664(7)
_cell_angle_alpha                90
_cell_angle_beta                 99.37(3)
_cell_angle_gamma                90
_cell_volume                     2242(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4776
_cell_measurement_temperature    293.00
_cell_measurement_theta_max      66.85
_cell_measurement_theta_min      3.77
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.300
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_lustre     ?
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             928
_exptl_crystal_preparation       'In EtOH'
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_av_unetI/netI     0.0551
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16000
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.636
_diffrn_reflns_theta_max         67.636
_diffrn_reflns_theta_min         3.768
_diffrn_ambient_temperature      293.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3121
_reflns_number_total             3923
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         1.332
_refine_diff_density_min         -0.564
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       0.0022(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         3923
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0855
_refine_ls_R_factor_gt           0.0708
_refine_ls_restrained_S_all      1.156
_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)+(0.0999P)²+2.3297P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1922
_refine_ls_wR_factor_ref         0.2142
_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:
 C19(H19A,H19B), C29(H29A,H29B)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C10(H10), C12(H12), C16(H16), C17(H17), C20(H20), C21(H21), C23(H23),
 C24(H24), C25(H25), C26(H26), C27(H27)
2.c Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C28(H28A,H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.05826(10) 0.16952(4) 0.69655(9) 0.0496(3) Uani 1 1 d . . . . .
S2 S -0.40905(11) 0.09540(4) 0.37268(9) 0.0522(4) Uani 1 1 d . . . . .
N1 N 0.0368(3) 0.09483(12) 0.4925(3) 0.0419(7) Uani 1 1 d . . . . .
N2 N -0.2388(3) 0.19235(13) 0.5935(3) 0.0446(7) Uani 1 1 d . . . . .
C3 C -0.0920(4) 0.12663(15) 0.4820(3) 0.0414(8) Uani 1 1 d . . . . .
C4 C -0.1082(4) 0.16341(15) 0.5817(3) 0.0411(8) Uani 1 1 d . . . . .
N5 N -0.2085(4) 0.16432(14) 0.2860(3) 0.0495(8) Uani 1 1 d . . . . .
C6 C 0.0816(4) 0.05487(15) 0.4134(3) 0.0413(8) Uani 1 1 d . . . . .
C7 C -0.2154(4) 0.22176(15) 0.6985(3) 0.0437(8) Uani 1 1 d . . . . .
C8 C -0.0180(5) 0.24343(17) 0.8739(4) 0.0530(10) Uani 1 1 d . . . . .
H8 H 0.085838 0.239788 0.917322 0.064 Uiso 1 1 calc R U . . .
C9 C -0.3518(5) 0.15907(17) 0.2021(4) 0.0493(9) Uani 1 1 d . . . . .
C10 C 0.2369(4) 0.03053(16) 0.4480(3) 0.0466(9) Uani 1 1 d . . . . .
H10 H 0.298258 0.042010 0.518113 0.056 Uiso 1 1 calc R U . . .
C11 C -0.2253(4) 0.13197(15) 0.3775(3) 0.0421(8) Uani 1 1 d . . . . .
C12 C 0.3014(4) -0.00965(17) 0.3822(3) 0.0473(9) Uani 1 1 d . . . . .
H12 H 0.405595 -0.023803 0.408202 0.057 Uiso 1 1 calc R U . . .
C13 C -0.0590(4) 0.21515(16) 0.7675(3) 0.0457(9) Uani 1 1 d . . . . .
C14 C 0.2139(4) -0.02966(16) 0.2771(4) 0.0477(9) Uani 1 1 d . . . . .
C15 C -0.4730(4) 0.12331(17) 0.2349(4) 0.0481(9) Uani 1 1 d . . . . .
C16 C -0.3322(5) 0.25617(18) 0.7401(4) 0.0573(11) Uani 1 1 d . . . . .
H16 H -0.435897 0.260827 0.697071 0.069 Uiso 1 1 calc R U . . .
C17 C -0.0072(4) 0.03438(19) 0.3101(4) 0.0558(11) Uani 1 1 d . . . . .
H17 H -0.111354 0.048679 0.284776 0.067 Uiso 1 1 calc R U . . .
N18 N 0.2754(4) -0.07086(17) 0.2120(4) 0.0667(11) Uani 1 1 d . . . . .
C19 C 0.4420(5) -0.09347(19) 0.2461(5) 0.0652(13) Uani 1 1 d . . . . .
H19A H 0.448032 -0.130367 0.209518 0.078 Uiso 1 1 calc R U . . .
H19B H 0.461167 -0.099444 0.329486 0.078 Uiso 1 1 calc R U . . .
C20 C -0.1340(6) 0.27670(18) 0.9132(4) 0.0604(11) Uani 1 1 d . . . . .
H20 H -0.109225 0.295182 0.984440 0.073 Uiso 1 1 calc R U . . .
C21 C -0.2896(6) 0.28294(19) 0.8465(4) 0.0657(12) Uani 1 1 d . . . . .
H21 H -0.366212 0.305698 0.874575 0.079 Uiso 1 1 calc R U . . .
C22 C 0.5775(5) -0.0563(2) 0.2151(5) 0.0739(14) Uani 1 1 d . . . . .
H22A H 0.569179 -0.054368 0.132140 0.111 Uiso 1 1 calc R U . . .
H22B H 0.681245 -0.072289 0.247934 0.111 Uiso 1 1 calc R U . . .
H22C H 0.568162 -0.018658 0.245621 0.111 Uiso 1 1 calc R U . . .
C23 C -0.6454(6) 0.1437(2) 0.0546(4) 0.0756(15) Uani 1 1 d . . . . .
H23 H -0.742595 0.138926 0.003249 0.091 Uiso 1 1 calc R U . . .
C24 C -0.6231(5) 0.1149(2) 0.1605(4) 0.0630(12) Uani 1 1 d . . . . .
H24 H -0.703396 0.091187 0.181174 0.076 Uiso 1 1 calc R U . . .
C25 C 0.0544(5) -0.0065(2) 0.2440(4) 0.0608(12) Uani 1 1 d . . . . .
H25 H -0.009806 -0.019225 0.176074 0.073 Uiso 1 1 calc R U . . .
C26 C -0.5253(7) 0.1796(2) 0.0236(4) 0.0736(14) Uani 1 1 d . . . . .
H26 H -0.545224 0.198859 -0.047027 0.088 Uiso 1 1 calc R U . . .
C27 C -0.3784(6) 0.1872(2) 0.0955(4) 0.0644(12) Uani 1 1 d . . . . .
H27 H -0.298413 0.210541 0.073376 0.077 Uiso 1 1 calc R U . . .
C28 C 0.2104(9) -0.0538(3) 0.0127(7) 0.112(2) Uani 1 1 d . . . . .
H28A H 0.143290 -0.065425 -0.058359 0.169 Uiso 1 1 calc R U . . .
H28B H 0.322940 -0.054315 0.002968 0.169 Uiso 1 1 calc R U . . .
H28C H 0.180602 -0.015936 0.032382 0.169 Uiso 1 1 calc R U . . .
C29 C 0.1873(7) -0.0915(3) 0.1023(5) 0.0916(19) Uani 1 1 d . . . . .
H29A H 0.226578 -0.129116 0.086154 0.110 Uiso 1 1 calc R U . . .
H29B H 0.071959 -0.094368 0.106629 0.110 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
S1 C4 1.767(4) . ?
S1 C13 1.744(4) . ?
S2 C11 1.743(4) . ?
S2 C15 1.737(4) . ?
N1 C3 1.294(4) . ?
N1 C6 1.408(5) . ?
N2 C4 1.305(4) . ?
N2 C7 1.392(5) . ?
C3 C4 1.472(5) . ?
C3 C11 1.512(5) . ?
N5 C9 1.418(5) . ?
N5 C11 1.335(5) . ?
C6 C10 1.408(5) . ?
C6 C17 1.392(5) . ?
C7 C13 1.421(5) . ?
C7 C16 1.408(5) . ?
C8 H8 0.9300 . ?
C8 C13 1.399(6) . ?
C8 C20 1.375(6) . ?
C9 C15 1.410(6) . ?
C9 C27 1.392(6) . ?
C10 H10 0.9300 . ?
C10 C12 1.378(5) . ?
C12 H12 0.9300 . ?
C12 C14 1.401(5) . ?
C14 N18 1.378(5) . ?
C14 C25 1.425(5) . ?
C15 C24 1.412(5) . ?
C16 H16 0.9300 . ?
C16 C21 1.384(6) . ?
C17 H17 0.9300 . ?
C17 C25 1.379(6) . ?
N18 C19 1.474(5) . ?
N18 C29 1.450(7) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C22 1.513(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.403(7) . ?
C21 H21 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23 0.9300 . ?
C23 C24 1.394(7) . ?
C23 C26 1.397(8) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C26 C27 1.374(7) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C28 C29 1.405(9) . ?
C29 H29A 0.9700 . ?
C29 H29B 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
C13 S1 C4 88.93(17) . . ?
C15 S2 C11 88.75(19) . . ?
C3 N1 C6 128.6(3) . . ?
C4 N2 C7 110.5(3) . . ?
N1 C3 C4 116.3(3) . . ?
N1 C3 C11 127.6(3) . . ?
C4 C3 C11 116.1(3) . . ?
N2 C4 S1 116.1(3) . . ?
N2 C4 C3 124.9(3) . . ?
C3 C4 S1 119.1(3) . . ?
C11 N5 C9 108.5(3) . . ?
N1 C6 C10 114.2(3) . . ?
C17 C6 N1 129.7(3) . . ?
C17 C6 C10 116.1(3) . . ?
N2 C7 C13 115.4(3) . . ?
N2 C7 C16 125.6(3) . . ?
C16 C7 C13 119.0(4) . . ?
C13 C8 H8 120.6 . . ?
C20 C8 H8 120.6 . . ?
C20 C8 C13 118.8(4) . . ?
C15 C9 N5 114.9(4) . . ?
C27 C9 N5 124.6(4) . . ?
C27 C9 C15 120.5(4) . . ?
C6 C10 H10 118.7 . . ?
C12 C10 C6 122.6(3) . . ?
C12 C10 H10 118.7 . . ?
C3 C11 S2 120.4(3) . . ?
N5 C11 S2 117.3(3) . . ?
N5 C11 C3 122.2(3) . . ?
C10 C12 H12 119.2 . . ?
C10 C12 C14 121.5(3) . . ?
C14 C12 H12 119.2 . . ?
C7 C13 S1 109.1(3) . . ?
C8 C13 S1 129.7(3) . . ?
C8 C13 C7 121.2(4) . . ?
C12 C14 C25 115.8(3) . . ?
N18 C14 C12 122.1(3) . . ?
N18 C14 C25 122.0(3) . . ?
C9 C15 S2 110.6(3) . . ?
C9 C15 C24 120.9(4) . . ?
C24 C15 S2 128.5(4) . . ?
C7 C16 H16 120.7 . . ?
C21 C16 C7 118.7(4) . . ?
C21 C16 H16 120.7 . . ?
C6 C17 H17 119.0 . . ?
C25 C17 C6 122.1(3) . . ?
C25 C17 H17 119.0 . . ?
C14 N18 C19 121.3(3) . . ?
C14 N18 C29 122.8(4) . . ?
C29 N18 C19 115.7(4) . . ?
N18 C19 H19A 108.4 . . ?
N18 C19 H19B 108.4 . . ?
N18 C19 C22 115.5(4) . . ?
H19A C19 H19B 107.5 . . ?
C22 C19 H19A 108.4 . . ?
C22 C19 H19B 108.4 . . ?
C8 C20 H20 119.8 . . ?
C8 C20 C21 120.4(4) . . ?
C21 C20 H20 119.8 . . ?
C16 C21 C20 121.9(4) . . ?
C16 C21 H21 119.1 . . ?
C20 C21 H21 119.1 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 H23 119.2 . . ?
C24 C23 C26 121.6(4) . . ?
C26 C23 H23 119.2 . . ?
C15 C24 H24 121.5 . . ?
C23 C24 C15 117.0(5) . . ?
C23 C24 H24 121.5 . . ?
C14 C25 H25 119.1 . . ?
C17 C25 C14 121.8(4) . . ?
C17 C25 H25 119.1 . . ?
C23 C26 H26 119.3 . . ?
C27 C26 C23 121.3(5) . . ?
C27 C26 H26 119.3 . . ?
C9 C27 H27 120.7 . . ?
C26 C27 C9 118.7(5) . . ?
C26 C27 H27 120.7 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
C29 C28 H28C 109.5 . . ?
N18 C29 H29A 109.7 . . ?
N18 C29 H29B 109.7 . . ?
C28 C29 N18 109.6(6) . . ?
C28 C29 H29A 109.7 . . ?
C28 C29 H29B 109.7 . . ?
H29A C29 H29B 108.2 . . ?

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
S2 C15 C24 C23 178.3(3) . . . . ?
N1 C3 C4 S1 9.2(4) . . . . ?
N1 C3 C4 N2 -170.3(3) . . . . ?
N1 C3 C11 S2 99.8(4) . . . . ?
N1 C3 C11 N5 -80.2(5) . . . . ?
N1 C6 C10 C12 179.6(3) . . . . ?
N1 C6 C17 C25 -178.0(4) . . . . ?
N2 C7 C13 S1 -0.8(4) . . . . ?
N2 C7 C13 C8 178.5(3) . . . . ?
N2 C7 C16 C21 -179.7(4) . . . . ?
C3 N1 C6 C10 175.3(3) . . . . ?
C3 N1 C6 C17 -8.1(7) . . . . ?
C4 S1 C13 C7 0.3(3) . . . . ?
C4 S1 C13 C8 -179.0(4) . . . . ?
C4 N2 C7 C13 1.0(5) . . . . ?
C4 N2 C7 C16 -178.6(4) . . . . ?
C4 C3 C11 S2 -82.5(4) . . . . ?
C4 C3 C11 N5 97.5(4) . . . . ?
N5 C9 C15 S2 0.0(4) . . . . ?
N5 C9 C15 C24 179.0(4) . . . . ?
N5 C9 C27 C26 -178.0(4) . . . . ?
C6 N1 C3 C4 178.2(3) . . . . ?
C6 N1 C3 C11 -4.1(6) . . . . ?
C6 C10 C12 C14 -1.4(6) . . . . ?
C6 C17 C25 C14 -0.8(8) . . . . ?
C7 N2 C4 S1 -0.7(4) . . . . ?
C7 N2 C4 C3 178.7(3) . . . . ?
C7 C16 C21 C20 0.1(7) . . . . ?
C8 C20 C21 C16 0.1(7) . . . . ?
C9 N5 C11 S2 -1.6(4) . . . . ?
C9 N5 C11 C3 178.4(3) . . . . ?
C9 C15 C24 C23 -0.4(6) . . . . ?
C10 C6 C17 C25 -1.4(6) . . . . ?
C10 C12 C14 N18 -178.3(4) . . . . ?
C10 C12 C14 C25 -0.8(6) . . . . ?
C11 S2 C15 C9 -0.7(3) . . . . ?
C11 S2 C15 C24 -179.6(4) . . . . ?
C11 C3 C4 S1 -168.8(3) . . . . ?
C11 C3 C4 N2 11.7(5) . . . . ?
C11 N5 C9 C15 0.9(5) . . . . ?
C11 N5 C9 C27 179.5(4) . . . . ?
C12 C14 N18 C19 -4.0(7) . . . . ?
C12 C14 N18 C29 -179.2(5) . . . . ?
C12 C14 C25 C17 1.9(7) . . . . ?
C13 S1 C4 N2 0.2(3) . . . . ?
C13 S1 C4 C3 -179.3(3) . . . . ?
C13 C7 C16 C21 0.8(6) . . . . ?
C13 C8 C20 C21 -1.2(6) . . . . ?
C14 N18 C19 C22 -79.6(6) . . . . ?
C14 N18 C29 C28 82.3(7) . . . . ?
C15 S2 C11 C3 -178.6(3) . . . . ?
C15 S2 C11 N5 1.4(3) . . . . ?
C15 C9 C27 C26 0.5(6) . . . . ?
C16 C7 C13 S1 178.8(3) . . . . ?
C16 C7 C13 C8 -1.9(6) . . . . ?
C17 C6 C10 C12 2.5(6) . . . . ?
N18 C14 C25 C17 179.4(4) . . . . ?
C19 N18 C29 C28 -93.1(6) . . . . ?
C20 C8 C13 S1 -178.7(3) . . . . ?
C20 C8 C13 C7 2.1(6) . . . . ?
C23 C26 C27 C9 -1.4(7) . . . . ?
C24 C23 C26 C27 1.4(7) . . . . ?
C25 C14 N18 C19 178.6(4) . . . . ?
C25 C14 N18 C29 3.5(7) . . . . ?
C26 C23 C24 C15 -0.4(7) . . . . ?
C27 C9 C15 S2 -178.6(3) . . . . ?
C27 C9 C15 C24 0.4(6) . . . . ?
C29 N18 C19 C22 95.9(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
