# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_1ver0-23431_PPS-376_auto
_database_code_depnum_ccdc_archive 'CCDC 2261122'
loop_
_audit_author_name
_audit_author_address
'Olga Bakulina'
;Saint Petersburg State University
Russia
;
_audit_update_record             
;
2023-10-10 deposited with the CCDC.	2024-01-29 downloaded from the CCDC.
;
_audit_creation_date             2023-10-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_chemical_formula_moiety         'C26 H20 N2 O6'
_chemical_formula_sum            'C26 H20 N2 O6'
_chemical_formula_weight         456.458
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.01920 0.00962 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.05239 0.03377 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.03256 0.01839 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_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 2ybc (x-z,y,z)'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x-1/2,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   8.3756(1)
_cell_length_b                   10.9149(2)
_cell_length_c                   23.5070(4)
_cell_angle_alpha                90
_cell_angle_beta                 95.279(2)
_cell_angle_gamma                90
_cell_volume                     2139.87(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7289
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      75.9150
_cell_measurement_theta_min      3.9310
_exptl_absorpt_coefficient_mu    0.845
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_description       prism
_exptl_crystal_F_000             955.372
_exptl_crystal_preparation       ?
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_Laue_measured_fraction_full 0.9956
_diffrn_reflns_Laue_measured_fraction_max 0.9737
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            10915
_diffrn_reflns_point_group_measured_fraction_full 0.9956
_diffrn_reflns_point_group_measured_fraction_max 0.9737
_diffrn_reflns_theta_full        67.6840
_diffrn_reflns_theta_max         76.24
_diffrn_reflns_theta_min         3.78
_diffrn_ambient_temperature      100.15
_diffrn_measured_fraction_theta_full 0.9956
_diffrn_measured_fraction_theta_max 0.9737
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              9
_reflns_limit_h_min              -10
_reflns_limit_k_max              13
_reflns_limit_k_min              0
_reflns_limit_l_max              29
_reflns_limit_l_min              -8
_reflns_number_gt                3741
_reflns_number_total             4377
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.4093
_refine_diff_density_min         -0.3155
_refine_diff_density_rms         0.0749
_refine_ls_d_res_high            0.7937
_refine_ls_d_res_low             11.7036
_refine_ls_goodness_of_fit_ref   1.0576
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    37
_refine_ls_number_parameters     309
_refine_ls_number_reflns         4377
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0434
_refine_ls_restrained_S_all      1.0576
_refine_ls_shift/su_max          0.0035
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0567P)²+1.1113P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1225
_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, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C22(H22), C25(H25)
2.b Secondary CH2 refined with riding coordinates:
 C17(H17a,H17b)
2.c Aromatic/amide H refined with riding coordinates:
 C13(H13), C15(H15), C16(H16), C20(H20), C23(H23), C26(H26), C27(H27),
 C29(H29), C31(H31), C32(H32), C33(H33), C34(H34)
2.d Idealised Me refined as rotating group:
 C30(H30a,H30b,H30c)
2.e Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
O1 O 0.31262(14) 0.95409(10) 0.67801(5) 0.0216(3) Uani 1.000000 .
O2 O 0.50454(16) 0.68695(11) 0.38170(5) 0.0249(3) Uani 1.000000 .
O3 O 0.37752(14) 0.52160(12) 0.74506(5) 0.0269(3) Uani 1.000000 .
H3 H 0.3161(2) 0.498(2) 0.7691(4) 0.0404(4) Uiso 1.000000 GR
O4 O -0.07956(15) 0.64961(12) 0.53306(5) 0.0289(3) Uani 1.000000 .
N5 N 0.24878(15) 0.78288(12) 0.62599(5) 0.0162(3) Uani 1.000000 .
O6 O 0.14896(15) 0.54411(15) 0.69040(6) 0.0369(4) Uani 1.000000 .
O7 O 0.21846(15) 0.99936(11) 0.52493(6) 0.0265(3) Uani 1.000000 .
N8 N 0.06802(16) 0.82879(12) 0.54332(6) 0.0187(3) Uani 1.000000 .
C9 C 0.50930(19) 0.79668(14) 0.67954(6) 0.0168(3) Uani 1.000000 .
C10 C 0.53606(18) 0.67124(14) 0.67298(6) 0.0159(3) Uani 1.000000 .
C11 C 0.36203(18) 0.66914(13) 0.54684(6) 0.0153(3) Uani 1.000000 .
C12 C 0.4647(2) 0.68425(14) 0.43726(7) 0.0188(3) Uani 1.000000 .
C13 C 0.31408(19) 0.58192(14) 0.50522(7) 0.0173(3) Uani 1.000000 .
H13 H 0.24587(19) 0.51666(14) 0.51436(7) 0.0208(4) Uiso 1.000000 R
C14 C 0.34895(19) 0.85086(14) 0.66137(6) 0.0164(3) Uani 1.000000 .
C15 C 0.51858(19) 0.76972(14) 0.47857(7) 0.0189(3) Uani 1.000000 .
H15 H 0.59017(19) 0.83303(14) 0.46978(7) 0.0227(4) Uiso 1.000000 R
C16 C 0.81148(19) 0.70027(17) 0.71008(7) 0.0232(3) Uani 1.000000 .
H16 H 0.91556(19) 0.66760(17) 0.71978(7) 0.0279(4) Uiso 1.000000 R
C17 C 0.09112(19) 0.83182(15) 0.60496(7) 0.0193(3) Uani 1.000000 .
H17a H 0.00621(19) 0.78286(15) 0.62086(7) 0.0231(4) Uiso 1.000000 R
H17b H 0.08176(19) 0.91735(15) 0.61828(7) 0.0231(4) Uiso 1.000000 R
C18 C 0.10804(19) 0.86204(16) 0.44905(7) 0.0226(3) Uani 1.000000 .
C19 C 0.0170(2) 0.75688(17) 0.45151(7) 0.0238(4) Uani 1.000000 .
C20 C 0.46619(19) 0.76127(14) 0.53299(7) 0.0183(3) Uani 1.000000 .
H20 H 0.50245(19) 0.81972(14) 0.56122(7) 0.0219(4) Uiso 1.000000 R
C21 C 0.29209(18) 0.55194(13) 0.69727(7) 0.0170(3) Uani 1.000000 .
C22 C 0.29130(18) 0.66137(13) 0.60393(6) 0.0155(3) Uani 1.000000 .
H22 H 0.18900(18) 0.61413(13) 0.59720(6) 0.0187(4) Uiso 1.000000 R
C23 C 0.68815(19) 0.62350(15) 0.68814(6) 0.0195(3) Uani 1.000000 .
H23 H 0.70777(19) 0.53852(15) 0.68351(6) 0.0234(4) Uiso 1.000000 R
C24 C 0.14351(19) 0.91022(15) 0.50811(7) 0.0206(3) Uani 1.000000 .
C25 C 0.39594(18) 0.59289(13) 0.65034(6) 0.0154(3) Uani 1.000000 .
H25 H 0.43919(18) 0.51790(13) 0.63274(6) 0.0185(4) Uiso 1.000000 R
C26 C 0.36453(19) 0.58916(14) 0.45079(7) 0.0188(3) Uani 1.000000 .
H26 H 0.33078(19) 0.52938(14) 0.42286(7) 0.0226(4) Uiso 1.000000 R
C27 C 0.6320(2) 0.87282(15) 0.70267(7) 0.0210(3) Uani 1.000000 .
H27 H 0.6122(2) 0.95755(15) 0.70800(7) 0.0252(4) Uiso 1.000000 R
C28 C -0.00974(19) 0.73279(16) 0.51215(7) 0.0212(3) Uani 1.000000 .
C29 C 0.7834(2) 0.82480(17) 0.71793(7) 0.0247(4) Uani 1.000000 .
H29 H 0.8674(2) 0.87651(17) 0.73364(7) 0.0296(4) Uiso 1.000000 R
C30 C 0.5734(2) 0.79788(16) 0.36273(7) 0.0255(4) Uani 1.000000 .
H30a H 0.5898(16) 0.7907(5) 0.32212(17) 0.0382(5) Uiso 1.000000 GR
H30b H 0.5009(8) 0.8665(3) 0.3682(6) 0.0382(5) Uiso 1.000000 GR
H30c H 0.6766(9) 0.8124(7) 0.3848(4) 0.0382(5) Uiso 1.000000 GR
C31 C 0.1567(2) 0.90494(18) 0.39802(8) 0.0301(4) Uani 1.000000 .
H31 H 0.2189(2) 0.97743(18) 0.39643(8) 0.0362(5) Uiso 1.000000 R
C32 C -0.0286(2) 0.6883(2) 0.40310(8) 0.0315(4) Uani 1.000000 .
H32 H -0.0904(2) 0.6156(2) 0.40499(8) 0.0378(5) Uiso 1.000000 R
C33 C 0.1102(2) 0.8370(2) 0.34898(8) 0.0367(5) Uani 1.000000 .
H33 H 0.1408(2) 0.8641(2) 0.31314(8) 0.0441(6) Uiso 1.000000 R
C34 C 0.0203(2) 0.7307(2) 0.35150(8) 0.0370(5) Uani 1.000000 .
H34 H -0.0084(2) 0.6860(2) 0.31743(8) 0.0444(6) Uiso 1.000000 R


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 C14 1.2398(19) . ?
O2 C12 1.3775(19) . ?
O2 C30 1.430(2) . ?
O3 H3 0.8400 . ?
O3 C21 1.3176(19) . ?
O4 C28 1.209(2) . ?
N5 C14 1.348(2) . ?
N5 C17 1.4674(19) . ?
N5 C22 1.4794(19) . ?
O6 C21 1.198(2) . ?
O7 C24 1.205(2) . ?
N8 C17 1.445(2) . ?
N8 C24 1.404(2) . ?
N8 C28 1.404(2) . ?
C9 C10 1.398(2) . ?
C9 C14 1.493(2) . ?
C9 C27 1.393(2) . ?
C10 C23 1.392(2) . ?
C10 C25 1.509(2) . ?
C11 C13 1.397(2) . ?
C11 C20 1.390(2) . ?
C11 C22 1.518(2) . ?
C12 C15 1.392(2) . ?
C12 C26 1.390(2) . ?
C13 H13 0.9500 . ?
C13 C26 1.386(2) . ?
C15 H15 0.9500 . ?
C15 C20 1.393(2) . ?
C16 H16 0.9500 . ?
C16 C23 1.392(2) . ?
C16 C29 1.395(3) . ?
C17 H17a 0.9900 . ?
C17 H17b 0.9900 . ?
C18 C19 1.382(3) . ?
C18 C24 1.489(2) . ?
C18 C31 1.383(2) . ?
C19 C28 1.487(2) . ?
C19 C32 1.386(3) . ?
C20 H20 0.9500 . ?
C21 C25 1.533(2) . ?
C22 H22 1.0000 . ?
C22 C25 1.5300(19) . ?
C23 H23 0.9500 . ?
C25 H25 1.0000 . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C27 C29 1.388(2) . ?
C29 H29 0.9500 . ?
C30 H30a 0.9800 . ?
C30 H30b 0.9800 . ?
C30 H30c 0.9800 . ?
C31 H31 0.9500 . ?
C31 C33 1.396(3) . ?
C32 H32 0.9500 . ?
C32 C34 1.395(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.387(3) . ?
C34 H34 0.9500 . ?

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
C30 O2 C12 116.98(13) . . ?
C21 O3 H3 109.5 . . ?
C17 N5 C14 119.81(13) . . ?
C22 N5 C14 123.60(12) . . ?
C22 N5 C17 116.52(12) . . ?
C24 N8 C17 123.42(14) . . ?
C28 N8 C17 123.61(14) . . ?
C28 N8 C24 112.17(13) . . ?
C14 C9 C10 120.35(14) . . ?
C27 C9 C10 120.48(15) . . ?
C27 C9 C14 119.17(14) . . ?
C23 C10 C9 119.37(14) . . ?
C25 C10 C9 117.81(13) . . ?
C25 C10 C23 122.81(14) . . ?
C20 C11 C13 118.36(14) . . ?
C22 C11 C13 118.06(13) . . ?
C22 C11 C20 123.51(13) . . ?
C15 C12 O2 123.78(15) . . ?
C26 C12 O2 115.91(14) . . ?
C26 C12 C15 120.31(14) . . ?
H13 C13 C11 119.50(9) . . ?
C26 C13 C11 121.01(15) . . ?
C26 C13 H13 119.50(9) . . ?
N5 C14 O1 122.54(14) . . ?
C9 C14 O1 120.67(14) . . ?
C9 C14 N5 116.79(13) . . ?
H15 C15 C12 120.42(9) . . ?
C20 C15 C12 119.16(14) . . ?
C20 C15 H15 120.42(9) . . ?
C23 C16 H16 119.76(10) . . ?
C29 C16 H16 119.76(10) . . ?
C29 C16 C23 120.48(15) . . ?
N8 C17 N5 111.28(13) . . ?
H17a C17 N5 109.37(8) . . ?
H17a C17 N8 109.37(9) . . ?
H17b C17 N5 109.37(8) . . ?
H17b C17 N8 109.37(8) . . ?
H17b C17 H17a 108.0 . . ?
C24 C18 C19 108.53(15) . . ?
C31 C18 C19 121.66(17) . . ?
C31 C18 C24 129.76(18) . . ?
C28 C19 C18 108.63(15) . . ?
C32 C19 C18 121.71(17) . . ?
C32 C19 C28 129.58(17) . . ?
C15 C20 C11 121.39(14) . . ?
H20 C20 C11 119.31(9) . . ?
H20 C20 C15 119.31(9) . . ?
O6 C21 O3 123.72(15) . . ?
C25 C21 O3 112.79(13) . . ?
C25 C21 O6 123.43(14) . . ?
C11 C22 N5 112.69(12) . . ?
H22 C22 N5 106.69(8) . . ?
H22 C22 C11 106.69(8) . . ?
C25 C22 N5 109.18(12) . . ?
C25 C22 C11 114.39(12) . . ?
C25 C22 H22 106.69(8) . . ?
C16 C23 C10 120.00(15) . . ?
H23 C23 C10 120.00(9) . . ?
H23 C23 C16 120.00(10) . . ?
N8 C24 O7 124.55(16) . . ?
C18 C24 O7 130.14(16) . . ?
C18 C24 N8 105.31(14) . . ?
C21 C25 C10 112.70(12) . . ?
C22 C25 C10 110.52(12) . . ?
C22 C25 C21 109.25(12) . . ?
H25 C25 C10 108.08(8) . . ?
H25 C25 C21 108.08(8) . . ?
H25 C25 C22 108.08(8) . . ?
C13 C26 C12 119.71(14) . . ?
H26 C26 C12 120.15(9) . . ?
H26 C26 C13 120.15(9) . . ?
H27 C27 C9 120.03(10) . . ?
C29 C27 C9 119.95(15) . . ?
C29 C27 H27 120.03(10) . . ?
N8 C28 O4 124.54(15) . . ?
C19 C28 O4 130.09(16) . . ?
C19 C28 N8 105.36(14) . . ?
C27 C29 C16 119.68(15) . . ?
H29 C29 C16 120.16(10) . . ?
H29 C29 C27 120.16(10) . . ?
H30a C30 O2 109.5 . . ?
H30b C30 O2 109.5 . . ?
H30b C30 H30a 109.5 . . ?
H30c C30 O2 109.5 . . ?
H30c C30 H30a 109.5 . . ?
H30c C30 H30b 109.5 . . ?
H31 C31 C18 121.49(12) . . ?
C33 C31 C18 117.02(19) . . ?
C33 C31 H31 121.49(12) . . ?
H32 C32 C19 121.51(12) . . ?
C34 C32 C19 116.98(19) . . ?
C34 C32 H32 121.51(13) . . ?
H33 C33 C31 119.32(12) . . ?
C34 C33 C31 121.36(18) . . ?
C34 C33 H33 119.32(11) . . ?
C33 C34 C32 121.26(18) . . ?
H34 C34 C32 119.37(13) . . ?
H34 C34 C33 119.37(11) . . ?

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 C14 N5 C17 1.12(18) . . . . ?
O1 C14 N5 C22 177.81(14) . . . . ?
O1 C14 C9 C10 164.00(14) . . . . ?
O1 C14 C9 C27 -16.49(17) . . . . ?
O2 C12 C15 C20 177.59(15) . . . . ?
O2 C12 C26 C13 -177.82(13) . . . . ?
O3 C21 C25 C10 -40.01(15) . . . . ?
O3 C21 C25 C22 -163.28(13) . . . . ?
O4 C28 N8 C17 8.0(2) . . . . ?
O4 C28 N8 C24 178.02(16) . . . . ?
O4 C28 C19 C18 -178.26(19) . . . . ?
O4 C28 C19 C32 -1.6(2) . . . . ?
N5 C14 C9 C10 -16.74(16) . . . . ?
N5 C14 C9 C27 162.77(14) . . . . ?
N5 C17 N8 C24 -74.26(15) . . . . ?
N5 C17 N8 C28 94.66(14) . . . . ?
N5 C22 C11 C13 -138.72(12) . . . . ?
N5 C22 C11 C20 38.38(15) . . . . ?
N5 C22 C25 C10 -52.18(13) . . . . ?
N5 C22 C25 C21 72.37(12) . . . . ?
O6 C21 C25 C10 142.60(17) . . . . ?
O6 C21 C25 C22 19.33(18) . . . . ?
O7 C24 N8 C17 -9.60(19) . . . . ?
O7 C24 N8 C28 -179.65(16) . . . . ?
O7 C24 C18 C19 -179.88(18) . . . . ?
O7 C24 C18 C31 2.5(2) . . . . ?
N8 C24 C18 C19 -0.45(13) . . . . ?
N8 C24 C18 C31 -178.10(12) . . . . ?
N8 C28 C19 C18 0.62(14) . . . . ?
N8 C28 C19 C32 177.29(13) . . . . ?
C9 C10 C23 C16 0.59(17) . . . . ?
C9 C10 C25 C21 -84.29(14) . . . . ?
C9 C10 C25 C22 38.27(15) . . . . ?
C9 C27 C29 C16 -0.13(18) . . . . ?
C10 C23 C16 C29 1.04(18) . . . . ?
C10 C25 C22 C11 75.14(13) . . . . ?
C11 C13 C26 C12 0.18(17) . . . . ?
C11 C20 C15 C12 0.27(18) . . . . ?
C11 C22 C25 C21 -160.31(13) . . . . ?
C18 C19 C32 C34 -0.57(19) . . . . ?
C18 C31 C33 C34 -0.5(2) . . . . ?
C19 C32 C34 C33 -0.1(2) . . . . ?
C31 C33 C34 C32 0.7(2) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
