# 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. 
# 
#######################################################################

data_2_pl
_database_code_depnum_ccdc_archive 'CCDC 2202656'
loop_
_audit_author_name
_audit_author_address
'Alireza Abbasi'
;University of Tehran
Iran
;
_audit_update_record             
;
2022-08-30 deposited with the CCDC.	2023-05-31 downloaded from the CCDC.
;
_audit_creation_date             2022-07-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H18 N2 O4, C2 H6 O S'
_chemical_formula_sum            'C27 H24 N2 O5 S'
_chemical_formula_weight         488.54
_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      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                   14.636(3)
_cell_length_b                   9.854(2)
_cell_length_c                   16.905(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.34(3)
_cell_angle_gamma                90
_cell_volume                     2423.2(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17054
_cell_measurement_temperature    290
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      1.7
_shelx_estimated_absorpt_T_max   0.983
_shelx_estimated_absorpt_T_min   0.966
_exptl_absorpt_coefficient_mu    0.175
_exptl_absorpt_correction_T_max  1.22085
_exptl_absorpt_correction_T_min  0.79024
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'R.H. Blessing, Acta Crystallogr., Sect A 1995, 51, 33-38'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0655
_diffrn_reflns_av_unetI/netI     0.0412
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17051
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.955
_diffrn_reflns_theta_min         1.748
_diffrn_ambient_temperature      290.0
_diffrn_detector                 'image-plate detector'
_diffrn_detector_area_resol_mean 0.81
_diffrn_detector_type            MAR345-dtb
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device       'one-circle diffractometer'
_diffrn_measurement_device_type  'Mar345 dtb'
_diffrn_measurement_method       'image-plate detector - phi oscillation'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_target            Mo
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4339
_reflns_number_total             4660
_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       'Automar software package (3.3a, 2015)'
_computing_data_collection       'MAR345 dtb Program (1.24-4, 2013)'
_computing_data_reduction        'Automar software package (3.3a, 2015)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'PLATON (2018)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.258
_refine_diff_density_min         -0.436
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         4660
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0591
_refine_ls_restrained_S_all      1.160
_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)+(0.0834P)²+0.5433P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1577
_refine_ls_wR_factor_ref         0.1609
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
O1 O -0.04351(10) 0.16434(17) 0.48216(10) 0.0632(4) Uani 1 1 d . . . . .
O4 O 0.20677(12) 0.2325(2) 0.67813(10) 0.0716(5) Uani 1 1 d . . . . .
O5 O 0.37373(12) 0.3256(2) 0.59452(12) 0.0798(5) Uani 1 1 d . . . . .
O3 O 0.30436(14) 0.18105(19) 0.51368(14) 0.0851(6) Uani 1 1 d . . . . .
N1 N 0.09949(13) 0.36648(19) 0.44416(10) 0.0522(4) Uani 1 1 d . . . . .
N2 N 0.30751(12) 0.2871(2) 0.54989(11) 0.0579(5) Uani 1 1 d . . . . .
C3 C 0.14678(13) 0.4851(2) 0.41665(11) 0.0471(4) Uani 1 1 d . . . . .
H3 H 0.1172(15) 0.570(2) 0.4341(13) 0.050(6) Uiso 1 1 d . . . . .
C2 C 0.13738(13) 0.3148(2) 0.51268(11) 0.0477(4) Uani 1 1 d . . . . .
C11 C 0.14608(14) 0.4899(2) 0.32702(11) 0.0475(4) Uani 1 1 d . . . . .
C26 C 0.22862(13) 0.3840(2) 0.53455(11) 0.0460(4) Uani 1 1 d . . . . .
H26 H 0.2281(16) 0.434(3) 0.5869(15) 0.060(6) Uiso 1 1 d . . . . .
C5 C 0.29503(14) 0.6030(2) 0.48444(11) 0.0479(4) Uani 1 1 d . . . . .
C4 C 0.24432(13) 0.4724(2) 0.46183(11) 0.0465(4) Uani 1 1 d . . . . .
H4 H 0.2781(17) 0.419(3) 0.4251(15) 0.063(7) Uiso 1 1 d . . . . .
C18 C 0.13293(15) 0.1979(2) 0.64277(12) 0.0539(5) Uani 1 1 d . . . . .
C20 C -0.01469(15) 0.1006(2) 0.62110(13) 0.0523(5) Uani 1 1 d . . . . .
C21 C 0.00695(14) 0.1628(2) 0.54457(12) 0.0504(5) Uani 1 1 d . . . . .
C6 C 0.38859(16) 0.6131(3) 0.47971(15) 0.0624(6) Uani 1 1 d . . . . .
H6 H 0.4157(17) 0.539(3) 0.4576(15) 0.062(7) Uiso 1 1 d . . . . .
C10 C 0.25085(17) 0.7136(2) 0.51401(14) 0.0584(5) Uani 1 1 d . . . . .
H10 H 0.189(2) 0.708(3) 0.5167(16) 0.071(7) Uiso 1 1 d . . . . .
C22 C -0.09422(18) 0.0359(2) 0.63925(17) 0.0630(6) Uani 1 1 d . . . . .
H22 H -0.1411(19) 0.020(3) 0.5987(17) 0.064(7) Uiso 1 1 d . . . . .
C13 C 0.1569(2) 0.3804(3) 0.20183(16) 0.0757(7) Uani 1 1 d . . . . .
H13 H 0.166(2) 0.296(4) 0.173(2) 0.096(10) Uiso 1 1 d . . . . .
C19 C 0.05826(15) 0.1240(2) 0.67904(13) 0.0546(5) Uani 1 1 d . . . . .
C25 C 0.0549(2) 0.0865(3) 0.75741(15) 0.0666(6) Uani 1 1 d . . . . .
H25 H 0.113(2) 0.109(3) 0.8000(19) 0.084(9) Uiso 1 1 d . . . . .
C17 C 0.09804(14) 0.2236(2) 0.56069(12) 0.0499(4) Uani 1 1 d . . . . .
C14 C 0.1461(2) 0.5035(3) 0.16356(15) 0.0730(7) Uani 1 1 d . . . . .
H14 H 0.148(2) 0.503(3) 0.109(2) 0.088(9) Uiso 1 1 d . . . . .
C12 C 0.15731(18) 0.3736(2) 0.28368(14) 0.0628(6) Uani 1 1 d . . . . .
H12 H 0.1645(18) 0.289(3) 0.3103(16) 0.067(7) Uiso 1 1 d . . . . .
C23 C -0.0976(2) -0.0011(3) 0.71861(18) 0.0720(7) Uani 1 1 d . . . . .
H23 H -0.149(2) -0.041(3) 0.7348(18) 0.080(8) Uiso 1 1 d . . . . .
C16 C 0.13623(18) 0.6123(2) 0.28793(14) 0.0612(6) Uani 1 1 d . . . . .
H16 H 0.1294(19) 0.692(3) 0.3168(17) 0.073(8) Uiso 1 1 d . . . . .
C24 C -0.0249(2) 0.0231(3) 0.77603(17) 0.0756(7) Uani 1 1 d . . . . .
H24 H -0.031(2) -0.008(3) 0.8284(19) 0.082(8) Uiso 1 1 d . . . . .
C8 C 0.3915(2) 0.8379(3) 0.53431(17) 0.0748(7) Uani 1 1 d . . . . .
H8 H 0.422(2) 0.921(3) 0.5516(18) 0.086(9) Uiso 1 1 d . . . . .
C15 C 0.1363(2) 0.6182(3) 0.20568(16) 0.0740(7) Uani 1 1 d . . . . .
H15 H 0.131(2) 0.704(4) 0.182(2) 0.102(11) Uiso 1 1 d . . . . .
C9 C 0.2988(2) 0.8300(3) 0.53839(16) 0.0698(6) Uani 1 1 d . . . . .
H9 H 0.267(2) 0.906(3) 0.561(2) 0.091(9) Uiso 1 1 d . . . . .
C7 C 0.43658(19) 0.7308(3) 0.50499(18) 0.0768(7) Uani 1 1 d . . . . .
H7 H 0.496(3) 0.736(4) 0.498(2) 0.103(11) Uiso 1 1 d . . . . .
S1 S 0.64459(4) 0.90121(6) 0.18510(3) 0.0585(2) Uani 1 1 d . . . . .
O2 O 0.57735(12) 0.95152(18) 0.11802(10) 0.0684(5) Uani 1 1 d . . . . .
C1 C 0.6118(2) 0.7334(3) 0.20433(17) 0.0841(9) Uani 1 1 d . . . . .
H1A H 0.548771 0.732344 0.215258 0.126 Uiso 1 1 calc R U . . .
H1B H 0.650169 0.698725 0.249504 0.126 Uiso 1 1 calc R U . . .
H1C H 0.618424 0.677828 0.158691 0.126 Uiso 1 1 calc R U . . .
C27 C 0.6134(2) 0.9785(3) 0.27318(16) 0.0838(8) Uani 1 1 d . . . . .
H27A H 0.625926 1.074087 0.271811 0.126 Uiso 1 1 calc R U . . .
H27B H 0.648451 0.938771 0.318714 0.126 Uiso 1 1 calc R U . . .
H27C H 0.549080 0.964510 0.276609 0.126 Uiso 1 1 calc R U . . .
H1 H 0.037(2) 0.356(3) 0.4290(18) 0.080(8) Uiso 1 1 d . . . . .


_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
O1 C21 1.219(3) . ?
O4 C18 1.224(3) . ?
O5 N2 1.221(3) . ?
O3 N2 1.209(3) . ?
N1 C3 1.460(3) . ?
N1 C2 1.329(3) . ?
N1 H1 0.92(3) . ?
N2 C26 1.499(3) . ?
C3 H3 1.00(2) . ?
C3 C11 1.515(3) . ?
C3 C4 1.548(3) . ?
C2 C26 1.509(3) . ?
C2 C17 1.379(3) . ?
C11 C12 1.379(3) . ?
C11 C16 1.375(3) . ?
C26 H26 1.01(3) . ?
C26 C4 1.544(3) . ?
C5 C4 1.513(3) . ?
C5 C6 1.384(3) . ?
C5 C10 1.389(3) . ?
C4 H4 0.98(3) . ?
C18 C19 1.500(3) . ?
C18 C17 1.447(3) . ?
C20 C21 1.496(3) . ?
C20 C22 1.391(3) . ?
C20 C19 1.386(3) . ?
C21 C17 1.460(3) . ?
C6 H6 0.93(3) . ?
C6 C7 1.399(4) . ?
C10 H10 0.91(3) . ?
C10 C9 1.383(3) . ?
C22 H22 0.93(3) . ?
C22 C23 1.396(4) . ?
C13 H13 0.98(3) . ?
C13 C14 1.376(4) . ?
C13 C12 1.385(3) . ?
C19 C25 1.382(3) . ?
C25 H25 1.08(3) . ?
C25 C24 1.391(4) . ?
C14 H14 0.93(3) . ?
C14 C15 1.352(4) . ?
C12 H12 0.95(3) . ?
C23 H23 0.91(3) . ?
C23 C24 1.380(4) . ?
C16 H16 0.94(3) . ?
C16 C15 1.392(3) . ?
C24 H24 0.95(3) . ?
C8 H8 0.96(3) . ?
C8 C9 1.369(4) . ?
C8 C7 1.366(4) . ?
C15 H15 0.94(4) . ?
C9 H9 0.98(3) . ?
C7 H7 0.89(4) . ?
S1 O2 1.5013(17) . ?
S1 C1 1.762(3) . ?
S1 C27 1.776(3) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 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
C3 N1 H1 119.3(18) . . ?
C2 N1 C3 114.68(17) . . ?
C2 N1 H1 120.1(19) . . ?
O5 N2 C26 116.9(2) . . ?
O3 N2 O5 124.4(2) . . ?
O3 N2 C26 118.52(19) . . ?
N1 C3 H3 109.7(12) . . ?
N1 C3 C11 113.11(16) . . ?
N1 C3 C4 102.84(15) . . ?
C11 C3 H3 108.3(13) . . ?
C11 C3 C4 113.57(16) . . ?
C4 C3 H3 109.1(13) . . ?
N1 C2 C26 108.23(18) . . ?
N1 C2 C17 126.99(19) . . ?
C17 C2 C26 124.50(17) . . ?
C12 C11 C3 121.16(18) . . ?
C16 C11 C3 119.80(18) . . ?
C16 C11 C12 119.0(2) . . ?
N2 C26 C2 113.46(17) . . ?
N2 C26 H26 103.9(14) . . ?
N2 C26 C4 108.51(15) . . ?
C2 C26 H26 110.1(14) . . ?
C2 C26 C4 105.40(16) . . ?
C4 C26 H26 115.7(14) . . ?
C6 C5 C4 120.48(19) . . ?
C6 C5 C10 117.9(2) . . ?
C10 C5 C4 121.59(19) . . ?
C3 C4 H4 103.3(14) . . ?
C26 C4 C3 103.18(15) . . ?
C26 C4 H4 109.5(15) . . ?
C5 C4 C3 117.13(16) . . ?
C5 C4 C26 112.97(16) . . ?
C5 C4 H4 110.1(15) . . ?
O4 C18 C19 125.4(2) . . ?
O4 C18 C17 128.2(2) . . ?
C17 C18 C19 106.33(18) . . ?
C22 C20 C21 129.8(2) . . ?
C19 C20 C21 108.84(18) . . ?
C19 C20 C22 121.2(2) . . ?
O1 C21 C20 126.0(2) . . ?
O1 C21 C17 127.6(2) . . ?
C17 C21 C20 106.42(17) . . ?
C5 C6 H6 116.0(16) . . ?
C5 C6 C7 120.6(2) . . ?
C7 C6 H6 123.4(16) . . ?
C5 C10 H10 118.4(17) . . ?
C9 C10 C5 121.1(2) . . ?
C9 C10 H10 120.5(17) . . ?
C20 C22 H22 118.9(17) . . ?
C20 C22 C23 116.8(3) . . ?
C23 C22 H22 124.3(17) . . ?
C14 C13 H13 122(2) . . ?
C14 C13 C12 120.0(2) . . ?
C12 C13 H13 118(2) . . ?
C20 C19 C18 109.33(18) . . ?
C25 C19 C18 128.8(2) . . ?
C25 C19 C20 121.8(2) . . ?
C19 C25 H25 118.5(16) . . ?
C19 C25 C24 117.2(3) . . ?
C24 C25 H25 124.3(16) . . ?
C2 C17 C18 123.53(19) . . ?
C2 C17 C21 126.15(18) . . ?
C18 C17 C21 109.00(18) . . ?
C13 C14 H14 116(2) . . ?
C15 C14 C13 120.2(2) . . ?
C15 C14 H14 123(2) . . ?
C11 C12 C13 120.2(2) . . ?
C11 C12 H12 119.5(16) . . ?
C13 C12 H12 120.3(16) . . ?
C22 C23 H23 121(2) . . ?
C24 C23 C22 121.6(2) . . ?
C24 C23 H23 117.1(19) . . ?
C11 C16 H16 120.0(17) . . ?
C11 C16 C15 120.4(2) . . ?
C15 C16 H16 119.6(17) . . ?
C25 C24 H24 121.4(18) . . ?
C23 C24 C25 121.3(2) . . ?
C23 C24 H24 117.2(18) . . ?
C9 C8 H8 117.5(19) . . ?
C7 C8 H8 122.8(19) . . ?
C7 C8 C9 119.7(3) . . ?
C14 C15 C16 120.2(2) . . ?
C14 C15 H15 122(2) . . ?
C16 C15 H15 117(2) . . ?
C10 C9 H9 120.4(19) . . ?
C8 C9 C10 120.3(3) . . ?
C8 C9 H9 119.2(19) . . ?
C6 C7 H7 118(2) . . ?
C8 C7 C6 120.4(3) . . ?
C8 C7 H7 122(2) . . ?
O2 S1 C1 106.25(12) . . ?
O2 S1 C27 106.49(13) . . ?
C1 S1 C27 98.47(16) . . ?
S1 C1 H1A 109.5 . . ?
S1 C1 H1B 109.5 . . ?
S1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
S1 C27 H27A 109.5 . . ?
S1 C27 H27B 109.5 . . ?
S1 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 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
O1 C21 C17 C2 12.5(4) . . . . ?
O1 C21 C17 C18 179.6(2) . . . . ?
O4 C18 C19 C20 -179.4(2) . . . . ?
O4 C18 C19 C25 3.3(4) . . . . ?
O4 C18 C17 C2 -12.6(4) . . . . ?
O4 C18 C17 C21 179.8(2) . . . . ?
O5 N2 C26 C2 -153.54(18) . . . . ?
O5 N2 C26 C4 89.7(2) . . . . ?
O3 N2 C26 C2 31.4(3) . . . . ?
O3 N2 C26 C4 -85.4(2) . . . . ?
N1 C3 C11 C12 -39.2(3) . . . . ?
N1 C3 C11 C16 142.3(2) . . . . ?
N1 C3 C4 C26 -23.15(19) . . . . ?
N1 C3 C4 C5 -147.92(17) . . . . ?
N1 C2 C26 N2 -125.81(18) . . . . ?
N1 C2 C26 C4 -7.2(2) . . . . ?
N1 C2 C17 C18 -163.8(2) . . . . ?
N1 C2 C17 C21 1.6(3) . . . . ?
N2 C26 C4 C3 140.78(16) . . . . ?
N2 C26 C4 C5 -91.8(2) . . . . ?
C3 N1 C2 C26 -9.0(2) . . . . ?
C3 N1 C2 C17 165.1(2) . . . . ?
C3 C11 C12 C13 -179.7(2) . . . . ?
C3 C11 C16 C15 179.4(2) . . . . ?
C2 N1 C3 C11 143.95(18) . . . . ?
C2 N1 C3 C4 21.0(2) . . . . ?
C2 C26 C4 C3 18.93(19) . . . . ?
C2 C26 C4 C5 146.36(17) . . . . ?
C11 C3 C4 C26 -145.75(16) . . . . ?
C11 C3 C4 C5 89.5(2) . . . . ?
C11 C16 C15 C14 0.0(4) . . . . ?
C26 C2 C17 C18 9.4(3) . . . . ?
C26 C2 C17 C21 174.78(18) . . . . ?
C5 C6 C7 C8 -0.4(4) . . . . ?
C5 C10 C9 C8 -0.5(4) . . . . ?
C4 C3 C11 C12 77.5(3) . . . . ?
C4 C3 C11 C16 -100.9(2) . . . . ?
C4 C5 C6 C7 -176.2(2) . . . . ?
C4 C5 C10 C9 176.6(2) . . . . ?
C18 C19 C25 C24 177.3(2) . . . . ?
C20 C21 C17 C2 -165.8(2) . . . . ?
C20 C21 C17 C18 1.4(2) . . . . ?
C20 C22 C23 C24 -1.2(4) . . . . ?
C20 C19 C25 C24 0.3(4) . . . . ?
C21 C20 C22 C23 -174.1(2) . . . . ?
C21 C20 C19 C18 -2.2(2) . . . . ?
C21 C20 C19 C25 175.4(2) . . . . ?
C6 C5 C4 C3 -141.3(2) . . . . ?
C6 C5 C4 C26 99.0(2) . . . . ?
C6 C5 C10 C9 -0.4(3) . . . . ?
C10 C5 C4 C3 41.8(3) . . . . ?
C10 C5 C4 C26 -77.9(2) . . . . ?
C10 C5 C6 C7 0.8(3) . . . . ?
C22 C20 C21 O1 -1.7(4) . . . . ?
C22 C20 C21 C17 176.6(2) . . . . ?
C22 C20 C19 C18 -178.66(19) . . . . ?
C22 C20 C19 C25 -1.1(3) . . . . ?
C22 C23 C24 C25 0.5(4) . . . . ?
C13 C14 C15 C16 -0.7(5) . . . . ?
C19 C18 C17 C2 164.94(19) . . . . ?
C19 C18 C17 C21 -2.6(2) . . . . ?
C19 C20 C21 O1 -177.8(2) . . . . ?
C19 C20 C21 C17 0.5(2) . . . . ?
C19 C20 C22 C23 1.5(3) . . . . ?
C19 C25 C24 C23 0.0(4) . . . . ?
C17 C2 C26 N2 59.9(3) . . . . ?
C17 C2 C26 C4 178.51(19) . . . . ?
C17 C18 C19 C20 3.0(2) . . . . ?
C17 C18 C19 C25 -174.3(2) . . . . ?
C14 C13 C12 C11 0.6(4) . . . . ?
C12 C11 C16 C15 0.9(4) . . . . ?
C12 C13 C14 C15 0.4(5) . . . . ?
C16 C11 C12 C13 -1.2(4) . . . . ?
C9 C8 C7 C6 -0.5(4) . . . . ?
C7 C8 C9 C10 0.9(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
