# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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. 
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data_mo_li3030
_database_code_depnum_ccdc_archive 'CCDC 2505118'
loop_
_audit_author_name
_audit_author_address
'shuai liu'
;xuzhou university of technology
China
;
_audit_update_record             
;
2025-11-24 deposited with the CCDC.	2026-04-29 downloaded from the CCDC.
;
_audit_creation_date             2025-08-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H24 N2 O4 S2'
_chemical_formula_sum            'C18 H24 N2 O4 S2'
_chemical_formula_weight         396.51
_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'
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                   8.5875(10)
_cell_length_b                   10.6673(10)
_cell_length_c                   11.4787(14)
_cell_angle_alpha                78.905(4)
_cell_angle_beta                 85.544(4)
_cell_angle_gamma                85.215(4)
_cell_volume                     1026.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9971
_cell_measurement_temperature    302.00
_cell_measurement_theta_max      28.140
_cell_measurement_theta_min      2.385
_shelx_estimated_absorpt_T_max   0.943
_shelx_estimated_absorpt_T_min   0.912
_exptl_absorpt_coefficient_mu    0.284
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7044
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1044 before and 0.0552 after correction.
The Ratio of minimum to maximum transmission is 0.9446.
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    1.283
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0553
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            42967
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.290
_diffrn_reflns_theta_min         1.950
_diffrn_ambient_temperature      302.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4202
_reflns_number_total             5090
_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 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.273
_refine_diff_density_min         -0.200
_refine_diff_density_rms         0.040
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     241
_refine_ls_number_reflns         5090
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0400
_refine_ls_restrained_S_all      1.074
_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)+(0.0658P)²+0.1467P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1145
_refine_ls_wR_factor_ref         0.1223
_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:
 C8(H8A,H8B), C17(H17A,H17B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C11(H11)
2.c Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C9(H9A,H9B,H9C), C14(H14A,H14B,H14C),
 C15(H15A,H15B,H15C), C18(H18A,H18B,H18C)
;
_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 0.11610(5) 0.94444(4) 0.70501(3) 0.05335(13) Uani 1 1 d . . . . .
S2 S -0.01478(4) 0.78427(4) 0.74063(4) 0.05671(13) Uani 1 1 d . . . . .
O1 O 0.33220(15) 0.89623(12) 0.24618(10) 0.0647(3) Uani 1 1 d . . . . .
O2 O 0.5638(2) 0.78961(18) 0.28423(15) 0.1004(5) Uani 1 1 d . . . . .
O3 O 0.11260(14) 0.61214(11) 1.21384(9) 0.0592(3) Uani 1 1 d . . . . .
O4 O 0.30254(18) 0.46119(14) 1.19196(12) 0.0812(4) Uani 1 1 d . . . . .
N1 N 0.49206(14) 0.81948(12) 0.53556(12) 0.0515(3) Uani 1 1 d . . . . .
N2 N 0.24398(14) 0.51624(11) 0.93542(12) 0.0478(3) Uani 1 1 d . . . . .
C1 C 0.26635(17) 0.90186(13) 0.60532(13) 0.0453(3) Uani 1 1 d . . . . .
C2 C 0.25857(17) 0.91047(13) 0.48261(13) 0.0469(3) Uani 1 1 d . . . . .
H2 H 0.1741 0.9449 0.4380 0.056 Uiso 1 1 calc R U . . .
C3 C 0.39856(17) 0.85878(14) 0.44015(14) 0.0493(3) Uani 1 1 d . . . . .
C4 C 0.41310(17) 0.84551(13) 0.63603(14) 0.0485(3) Uani 1 1 d . . . . .
C5 C 0.6513(2) 0.75899(19) 0.5312(2) 0.0722(5) Uani 1 1 d . . . . .
H5A H 0.6488 0.6755 0.5120 0.108 Uiso 1 1 calc R U . . .
H5B H 0.6942 0.7512 0.6073 0.108 Uiso 1 1 calc R U . . .
H5C H 0.7153 0.8106 0.4715 0.108 Uiso 1 1 calc R U . . .
C6 C 0.4806(2) 0.81597(17) 0.75512(17) 0.0655(5) Uani 1 1 d . . . . .
H6A H 0.4995 0.7250 0.7788 0.098 Uiso 1 1 calc R U . . .
H6B H 0.4082 0.8479 0.8124 0.098 Uiso 1 1 calc R U . . .
H6C H 0.5774 0.8561 0.7507 0.098 Uiso 1 1 calc R U . . .
C7 C 0.4444(2) 0.84295(16) 0.31839(16) 0.0592(4) Uani 1 1 d . . . . .
C8 C 0.3565(3) 0.8872(2) 0.12168(16) 0.0752(5) Uani 1 1 d . . . . .
H8A H 0.3511 0.7994 0.1120 0.090 Uiso 1 1 calc R U . . .
H8B H 0.4586 0.9154 0.0904 0.090 Uiso 1 1 calc R U . . .
C9 C 0.2319(3) 0.9703(3) 0.0581(2) 0.0993(8) Uani 1 1 d . . . . .
H9A H 0.2423 0.9642 -0.0245 0.149 Uiso 1 1 calc R U . . .
H9B H 0.2409 1.0574 0.0658 0.149 Uiso 1 1 calc R U . . .
H9C H 0.1315 0.9434 0.0917 0.149 Uiso 1 1 calc R U . . .
C10 C 0.08718(16) 0.67765(14) 0.84854(13) 0.0466(3) Uani 1 1 d . . . . .
C11 C 0.07484(16) 0.67661(13) 0.97140(13) 0.0452(3) Uani 1 1 d . . . . .
H11 H 0.0120 0.7333 1.0100 0.054 Uiso 1 1 calc R U . . .
C12 C 0.17237(16) 0.57662(13) 1.02426(13) 0.0451(3) Uani 1 1 d . . . . .
C13 C 0.19385(17) 0.57720(14) 0.82882(14) 0.0487(3) Uani 1 1 d . . . . .
C14 C 0.3458(2) 0.39762(16) 0.95277(19) 0.0664(5) Uani 1 1 d . . . . .
H14A H 0.4495 0.4165 0.9664 0.100 Uiso 1 1 calc R U . . .
H14B H 0.3494 0.3599 0.8830 0.100 Uiso 1 1 calc R U . . .
H14C H 0.3053 0.3388 1.0202 0.100 Uiso 1 1 calc R U . . .
C15 C 0.2535(2) 0.53815(19) 0.71469(17) 0.0681(5) Uani 1 1 d . . . . .
H15A H 0.3650 0.5432 0.7049 0.102 Uiso 1 1 calc R U . . .
H15B H 0.2053 0.5943 0.6497 0.102 Uiso 1 1 calc R U . . .
H15C H 0.2287 0.4518 0.7160 0.102 Uiso 1 1 calc R U . . .
C16 C 0.20481(18) 0.54075(14) 1.14890(14) 0.0506(3) Uani 1 1 d . . . . .
C17 C 0.1385(2) 0.59374(19) 1.33941(15) 0.0674(5) Uani 1 1 d . . . . .
H17A H 0.2452 0.6104 1.3504 0.081 Uiso 1 1 calc R U . . .
H17B H 0.1209 0.5064 1.3780 0.081 Uiso 1 1 calc R U . . .
C18 C 0.0269(3) 0.6843(2) 1.39045(19) 0.0767(5) Uani 1 1 d . . . . .
H18A H 0.0427 0.7700 1.3493 0.115 Uiso 1 1 calc R U . . .
H18B H 0.0436 0.6776 1.4732 0.115 Uiso 1 1 calc R U . . .
H18C H -0.0781 0.6644 1.3821 0.115 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 S2 2.0808(6) . ?
S1 C1 1.7474(15) . ?
S2 C10 1.7477(15) . ?
O1 C7 1.338(2) . ?
O1 C8 1.449(2) . ?
O2 C7 1.206(2) . ?
O3 C16 1.3375(19) . ?
O3 C17 1.449(2) . ?
O4 C16 1.2054(18) . ?
N1 C3 1.3870(19) . ?
N1 C4 1.355(2) . ?
N1 C5 1.464(2) . ?
N2 C12 1.3865(19) . ?
N2 C13 1.354(2) . ?
N2 C14 1.4667(18) . ?
C1 C2 1.400(2) . ?
C1 C4 1.3909(19) . ?
C2 H2 0.9300 . ?
C2 C3 1.374(2) . ?
C3 C7 1.460(2) . ?
C4 C6 1.493(2) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.475(3) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.404(2) . ?
C10 C13 1.391(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.3741(19) . ?
C12 C16 1.451(2) . ?
C13 C15 1.491(2) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.474(3) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?

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
C1 S1 S2 102.74(5) . . ?
C10 S2 S1 103.85(5) . . ?
C7 O1 C8 117.66(15) . . ?
C16 O3 C17 117.12(13) . . ?
C3 N1 C5 126.37(15) . . ?
C4 N1 C3 109.39(12) . . ?
C4 N1 C5 124.24(15) . . ?
C12 N2 C14 126.23(14) . . ?
C13 N2 C12 109.29(12) . . ?
C13 N2 C14 124.22(14) . . ?
C2 C1 S1 126.75(11) . . ?
C4 C1 S1 125.40(12) . . ?
C4 C1 C2 107.74(13) . . ?
C1 C2 H2 126.2 . . ?
C3 C2 C1 107.53(13) . . ?
C3 C2 H2 126.2 . . ?
N1 C3 C7 124.46(14) . . ?
C2 C3 N1 107.68(13) . . ?
C2 C3 C7 127.84(15) . . ?
N1 C4 C1 107.66(13) . . ?
N1 C4 C6 123.26(14) . . ?
C1 C4 C6 129.08(15) . . ?
N1 C5 H5A 109.5 . . ?
N1 C5 H5B 109.5 . . ?
N1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O1 C7 C3 110.04(14) . . ?
O2 C7 O1 123.07(17) . . ?
O2 C7 C3 126.88(18) . . ?
O1 C8 H8A 110.3 . . ?
O1 C8 H8B 110.3 . . ?
O1 C8 C9 107.30(17) . . ?
H8A C8 H8B 108.5 . . ?
C9 C8 H8A 110.3 . . ?
C9 C8 H8B 110.3 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 S2 126.23(11) . . ?
C13 C10 S2 126.37(12) . . ?
C13 C10 C11 107.39(13) . . ?
C10 C11 H11 126.2 . . ?
C12 C11 C10 107.61(13) . . ?
C12 C11 H11 126.2 . . ?
N2 C12 C16 124.24(13) . . ?
C11 C12 N2 107.73(13) . . ?
C11 C12 C16 127.96(13) . . ?
N2 C13 C10 107.97(13) . . ?
N2 C13 C15 122.46(14) . . ?
C10 C13 C15 129.55(15) . . ?
N2 C14 H14A 109.5 . . ?
N2 C14 H14B 109.5 . . ?
N2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O3 C16 C12 110.52(12) . . ?
O4 C16 O3 122.42(15) . . ?
O4 C16 C12 127.03(15) . . ?
O3 C17 H17A 110.3 . . ?
O3 C17 H17B 110.3 . . ?
O3 C17 C18 107.00(16) . . ?
H17A C17 H17B 108.6 . . ?
C18 C17 H17A 110.3 . . ?
C18 C17 H17B 110.3 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 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
S1 S2 C10 C11 83.14(13) . . . . ?
S1 S2 C10 C13 -97.79(13) . . . . ?
S1 C1 C2 C3 -175.82(11) . . . . ?
S1 C1 C4 N1 175.93(11) . . . . ?
S1 C1 C4 C6 -4.2(2) . . . . ?
S2 S1 C1 C2 81.95(13) . . . . ?
S2 S1 C1 C4 -93.80(13) . . . . ?
S2 C10 C11 C12 179.01(11) . . . . ?
S2 C10 C13 N2 -178.72(10) . . . . ?
S2 C10 C13 C15 3.0(2) . . . . ?
N1 C3 C7 O1 -176.91(14) . . . . ?
N1 C3 C7 O2 3.6(3) . . . . ?
N2 C12 C16 O3 -177.03(13) . . . . ?
N2 C12 C16 O4 4.9(3) . . . . ?
C1 C2 C3 N1 -0.38(17) . . . . ?
C1 C2 C3 C7 178.12(15) . . . . ?
C2 C1 C4 N1 -0.49(16) . . . . ?
C2 C1 C4 C6 179.40(15) . . . . ?
C2 C3 C7 O1 4.8(2) . . . . ?
C2 C3 C7 O2 -174.64(19) . . . . ?
C3 N1 C4 C1 0.26(16) . . . . ?
C3 N1 C4 C6 -179.64(14) . . . . ?
C4 N1 C3 C2 0.08(16) . . . . ?
C4 N1 C3 C7 -178.48(14) . . . . ?
C4 C1 C2 C3 0.54(17) . . . . ?
C5 N1 C3 C2 179.99(15) . . . . ?
C5 N1 C3 C7 1.4(2) . . . . ?
C5 N1 C4 C1 -179.66(15) . . . . ?
C5 N1 C4 C6 0.4(2) . . . . ?
C7 O1 C8 C9 -170.72(18) . . . . ?
C8 O1 C7 O2 0.7(3) . . . . ?
C8 O1 C7 C3 -178.76(14) . . . . ?
C10 C11 C12 N2 -0.14(16) . . . . ?
C10 C11 C12 C16 176.93(14) . . . . ?
C11 C10 C13 N2 0.50(16) . . . . ?
C11 C10 C13 C15 -177.78(16) . . . . ?
C11 C12 C16 O3 6.4(2) . . . . ?
C11 C12 C16 O4 -171.70(17) . . . . ?
C12 N2 C13 C10 -0.59(16) . . . . ?
C12 N2 C13 C15 177.83(14) . . . . ?
C13 N2 C12 C11 0.46(16) . . . . ?
C13 N2 C12 C16 -176.74(13) . . . . ?
C13 C10 C11 C12 -0.21(16) . . . . ?
C14 N2 C12 C11 -173.83(14) . . . . ?
C14 N2 C12 C16 9.0(2) . . . . ?
C14 N2 C13 C10 173.84(14) . . . . ?
C14 N2 C13 C15 -7.7(2) . . . . ?
C16 O3 C17 C18 178.55(15) . . . . ?
C17 O3 C16 O4 2.3(2) . . . . ?
C17 O3 C16 C12 -175.86(14) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
