# Electronic Supplementary Material (ESI) for RSC Advances.
# 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. 
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data_mo_hbm_0m
_database_code_depnum_ccdc_archive 'CCDC 2289774'
loop_
_audit_author_name
_audit_author_address
'Pascal Roussel'
;Lille University
France
;
_audit_update_record             
;
2023-08-21 deposited with the CCDC.	2023-09-20 downloaded from the CCDC.
;
_audit_creation_date             2023-01-25
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H22 N2 O3'
_chemical_formula_sum            'C20 H22 N2 O3'
_chemical_formula_weight         338.39
_chemical_absolute_configuration ?
_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'

_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           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   11.5519(5)
_cell_length_b                   21.2965(11)
_cell_length_c                   9.1698(5)
_cell_angle_alpha                90
_cell_angle_beta                 128.8251(15)
_cell_angle_gamma                90
_cell_volume                     1757.49(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2980
_cell_measurement_temperature    296
_cell_measurement_theta_max      25.658
_cell_measurement_theta_min      2.457
_shelx_estimated_absorpt_T_max   0.992
_shelx_estimated_absorpt_T_min   0.968
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6672
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1382 before and 0.0496 after correction.
The Ratio of minimum to maximum transmission is 0.8951.
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    1.279
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.383
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_unetI/netI     0.0586
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7731
_diffrn_reflns_point_group_measured_fraction_full 0.954
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.382
_diffrn_reflns_theta_min         1.912
_diffrn_ambient_temperature      296
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 microsource'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           0.61
_diffrn_source_power             0.0305
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.905
_reflns_Friedel_fraction_full    0.911
_reflns_Friedel_fraction_max     0.903
_reflns_number_gt                2830
_reflns_number_total             3406
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         0.194
_refine_diff_density_min         -0.148
_refine_diff_density_rms         0.033
_refine_ls_abs_structure_details 
;
 Flack x determined using 1089 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -1.4(10)
_refine_ls_extinction_coef       0.013(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         3406
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0419
_refine_ls_restrained_S_all      1.039
_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)+(0.0526P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
_refine_ls_wR_factor_ref         0.1056
_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 O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C7(H7A,H7B), C19(H19A,H19B), C17(H17A,H17B), C22(H22A,H22B),
 C23(H23A,H23B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C2(H2), C3(H3), C5(H5), C1(H1), C10(H10), C13(H13), C12(H12), C11(H11)
2.c Idealised tetrahedral OH refined as rotating group:
 O24(H24)
;
_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
N8 N 0.4104(3) 0.29826(11) -0.2388(4) 0.0389(6) Uani 1 1 d . . . . .
C14 C 0.2495(3) 0.37600(13) -0.2966(4) 0.0403(6) Uani 1 1 d . . . . .
C6 C 0.6376(3) 0.29427(13) -0.2114(4) 0.0393(6) Uani 1 1 d . . . . .
C4 C 0.8277(4) 0.30331(17) -0.2439(5) 0.0539(8) Uani 1 1 d . . . . .
H4 H 0.871208 0.289048 -0.295303 0.065 Uiso 1 1 calc R U . . .
C15 C 0.2865(3) 0.33983(14) -0.1308(5) 0.0418(7) Uani 1 1 d . . . . .
C2 C 0.8235(4) 0.37479(15) -0.0484(5) 0.0542(9) Uani 1 1 d . . . . .
H2 H 0.863312 0.409348 0.031231 0.065 Uiso 1 1 calc R U . . .
O21 O 0.7825(3) 0.46819(11) 0.3717(4) 0.0636(7) Uani 1 1 d . . . . .
C16 C 0.3932(3) 0.28913(14) -0.1059(4) 0.0401(7) Uani 1 1 d . . . . .
C9 C 0.3244(3) 0.34960(14) -0.3548(4) 0.0404(7) Uani 1 1 d . . . . .
C3 C 0.8886(4) 0.35333(16) -0.1236(5) 0.0532(9) Uani 1 1 d . . . . .
H3 H 0.973453 0.372747 -0.092737 0.064 Uiso 1 1 calc R U . . .
C5 C 0.7029(4) 0.27395(15) -0.2894(5) 0.0472(7) Uani 1 1 d . . . . .
H5 H 0.661758 0.240376 -0.372656 0.057 Uiso 1 1 calc R U . . .
C1 C 0.6992(3) 0.34510(14) -0.0908(5) 0.0450(7) Uani 1 1 d . . . . .
H1 H 0.656777 0.359389 -0.038061 0.054 Uiso 1 1 calc R U . . .
O25 O 0.4517(3) 0.24739(11) 0.0105(4) 0.0592(6) Uani 1 1 d . . . . .
C20 C 0.7790(4) 0.40188(17) 0.3874(6) 0.0640(10) Uani 1 1 d . . . . .
H20A H 0.852842 0.389684 0.517369 0.077 Uiso 1 1 calc R U . . .
H20B H 0.804124 0.381736 0.315615 0.077 Uiso 1 1 calc R U . . .
N18 N 0.5148(3) 0.39816(12) 0.1239(4) 0.0443(6) Uani 1 1 d . . . . .
C10 C 0.3087(4) 0.37189(16) -0.5073(5) 0.0521(8) Uani 1 1 d . . . . .
H10 H 0.360982 0.354238 -0.543274 0.062 Uiso 1 1 calc R U . . .
C13 C 0.1530(4) 0.42558(15) -0.3968(5) 0.0551(9) Uani 1 1 d . . . . .
H13 H 0.101392 0.443513 -0.360174 0.066 Uiso 1 1 calc R U . . .
C7 C 0.5036(4) 0.25973(14) -0.2589(5) 0.0458(7) Uani 1 1 d . . . . .
H7A H 0.444572 0.244793 -0.386967 0.055 Uiso 1 1 calc R U . . .
H7B H 0.536972 0.223351 -0.177989 0.055 Uiso 1 1 calc R U . . .
C19 C 0.6286(4) 0.37981(16) 0.3176(5) 0.0557(9) Uani 1 1 d . . . . .
H19A H 0.629353 0.334465 0.328031 0.067 Uiso 1 1 calc R U . . .
H19B H 0.606086 0.397736 0.394524 0.067 Uiso 1 1 calc R U . . .
C17 C 0.3671(4) 0.37665(17) 0.0518(5) 0.0525(8) Uani 1 1 d . . . . .
H17A H 0.307400 0.412791 0.031402 0.063 Uiso 1 1 calc R U . . .
H17B H 0.376883 0.350284 0.145292 0.063 Uiso 1 1 calc R U . . .
C12 C 0.1342(4) 0.44814(16) -0.5519(6) 0.0670(11) Uani 1 1 d . . . . .
H12 H 0.069044 0.481215 -0.620566 0.080 Uiso 1 1 calc R U . . .
C11 C 0.2118(4) 0.42172(18) -0.6052(6) 0.0643(10) Uani 1 1 d . . . . .
H11 H 0.198860 0.437690 -0.708954 0.077 Uiso 1 1 calc R U . . .
O24 O 0.1616(3) 0.31319(12) -0.1596(3) 0.0564(6) Uani 1 1 d . . . . .
H24 H 0.111550 0.294030 -0.259188 0.085 Uiso 1 1 calc R U . . .
C22 C 0.6743(4) 0.48568(16) 0.1810(6) 0.0643(10) Uani 1 1 d . . . . .
H22A H 0.698067 0.466111 0.107140 0.077 Uiso 1 1 calc R U . . .
H22B H 0.676772 0.530840 0.169399 0.077 Uiso 1 1 calc R U . . .
C23 C 0.5210(4) 0.46618(16) 0.1062(6) 0.0596(9) Uani 1 1 d . . . . .
H23A H 0.494587 0.487546 0.175149 0.071 Uiso 1 1 calc R U . . .
H23B H 0.449767 0.478195 -0.024358 0.071 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
N8 C16 1.366(4) . ?
N8 C9 1.410(4) . ?
N8 C7 1.455(3) . ?
C14 C15 1.508(5) . ?
C14 C9 1.388(4) . ?
C14 C13 1.385(4) . ?
C6 C5 1.394(4) . ?
C6 C1 1.383(4) . ?
C6 C7 1.511(4) . ?
C4 H4 0.9300 . ?
C4 C3 1.369(5) . ?
C4 C5 1.375(5) . ?
C15 C16 1.544(4) . ?
C15 C17 1.527(5) . ?
C15 O24 1.412(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.378(5) . ?
C2 C1 1.382(4) . ?
O21 C20 1.423(4) . ?
O21 C22 1.421(5) . ?
C16 O25 1.217(4) . ?
C9 C10 1.377(5) . ?
C3 H3 0.9300 . ?
C5 H5 0.9300 . ?
C1 H1 0.9300 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C19 1.501(5) . ?
N18 C19 1.452(4) . ?
N18 C17 1.464(4) . ?
N18 C23 1.464(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.387(5) . ?
C13 H13 0.9300 . ?
C13 C12 1.383(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C12 H12 0.9300 . ?
C12 C11 1.382(6) . ?
C11 H11 0.9300 . ?
O24 H24 0.8200 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.502(6) . ?
C23 H23A 0.9700 . ?
C23 H23B 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
C16 N8 C9 110.8(2) . . ?
C16 N8 C7 124.5(3) . . ?
C9 N8 C7 124.7(3) . . ?
C9 C14 C15 109.3(2) . . ?
C13 C14 C15 131.3(3) . . ?
C13 C14 C9 119.4(3) . . ?
C5 C6 C7 119.1(3) . . ?
C1 C6 C5 118.7(3) . . ?
C1 C6 C7 122.1(2) . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.7(3) . . ?
C5 C4 H4 119.7 . . ?
C14 C15 C16 101.6(2) . . ?
C14 C15 C17 115.9(3) . . ?
C17 C15 C16 108.4(3) . . ?
O24 C15 C14 114.0(3) . . ?
O24 C15 C16 112.0(2) . . ?
O24 C15 C17 105.1(2) . . ?
C3 C2 H2 119.9 . . ?
C3 C2 C1 120.2(3) . . ?
C1 C2 H2 119.9 . . ?
C22 O21 C20 109.0(3) . . ?
N8 C16 C15 108.5(2) . . ?
O25 C16 N8 125.1(3) . . ?
O25 C16 C15 126.4(3) . . ?
C14 C9 N8 109.7(3) . . ?
C10 C9 N8 128.0(3) . . ?
C10 C9 C14 122.3(3) . . ?
C4 C3 C2 119.7(3) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C6 C5 H5 119.9 . . ?
C4 C5 C6 120.3(3) . . ?
C4 C5 H5 119.9 . . ?
C6 C1 H1 119.8 . . ?
C2 C1 C6 120.4(3) . . ?
C2 C1 H1 119.8 . . ?
O21 C20 H20A 109.3 . . ?
O21 C20 H20B 109.3 . . ?
O21 C20 C19 111.5(3) . . ?
H20A C20 H20B 108.0 . . ?
C19 C20 H20A 109.3 . . ?
C19 C20 H20B 109.3 . . ?
C19 N18 C17 111.9(3) . . ?
C19 N18 C23 109.4(3) . . ?
C17 N18 C23 112.6(2) . . ?
C9 C10 H10 121.3 . . ?
C9 C10 C11 117.4(3) . . ?
C11 C10 H10 121.3 . . ?
C14 C13 H13 120.4 . . ?
C12 C13 C14 119.3(3) . . ?
C12 C13 H13 120.4 . . ?
N8 C7 C6 113.3(2) . . ?
N8 C7 H7A 108.9 . . ?
N8 C7 H7B 108.9 . . ?
C6 C7 H7A 108.9 . . ?
C6 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
N18 C19 C20 110.8(3) . . ?
N18 C19 H19A 109.5 . . ?
N18 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
C15 C17 H17A 109.0 . . ?
C15 C17 H17B 109.0 . . ?
N18 C17 C15 113.1(2) . . ?
N18 C17 H17A 109.0 . . ?
N18 C17 H17B 109.0 . . ?
H17A C17 H17B 107.8 . . ?
C13 C12 H12 119.9 . . ?
C11 C12 C13 120.3(3) . . ?
C11 C12 H12 119.9 . . ?
C10 C11 H11 119.3 . . ?
C12 C11 C10 121.5(4) . . ?
C12 C11 H11 119.3 . . ?
C15 O24 H24 109.5 . . ?
O21 C22 H22A 109.4 . . ?
O21 C22 H22B 109.4 . . ?
O21 C22 C23 111.4(3) . . ?
H22A C22 H22B 108.0 . . ?
C23 C22 H22A 109.4 . . ?
C23 C22 H22B 109.4 . . ?
N18 C23 C22 110.4(3) . . ?
N18 C23 H23A 109.6 . . ?
N18 C23 H23B 109.6 . . ?
C22 C23 H23A 109.6 . . ?
C22 C23 H23B 109.6 . . ?
H23A C23 H23B 108.1 . . ?

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
N8 C9 C10 C11 177.1(3) . . . . ?
C14 C15 C16 N8 0.6(3) . . . . ?
C14 C15 C16 O25 -178.6(3) . . . . ?
C14 C15 C17 N18 -64.0(4) . . . . ?
C14 C9 C10 C11 -1.2(5) . . . . ?
C14 C13 C12 C11 -0.5(5) . . . . ?
C15 C14 C9 N8 -0.4(3) . . . . ?
C15 C14 C9 C10 178.2(3) . . . . ?
C15 C14 C13 C12 -176.5(3) . . . . ?
O21 C20 C19 N18 58.1(4) . . . . ?
O21 C22 C23 N18 -58.5(4) . . . . ?
C16 N8 C9 C14 0.9(3) . . . . ?
C16 N8 C9 C10 -177.7(3) . . . . ?
C16 N8 C7 C6 -112.1(3) . . . . ?
C16 C15 C17 N18 49.4(4) . . . . ?
C9 N8 C16 C15 -0.9(3) . . . . ?
C9 N8 C16 O25 178.3(3) . . . . ?
C9 N8 C7 C6 68.7(4) . . . . ?
C9 C14 C15 C16 -0.1(3) . . . . ?
C9 C14 C15 C17 117.1(3) . . . . ?
C9 C14 C15 O24 -120.7(3) . . . . ?
C9 C14 C13 C12 -0.6(5) . . . . ?
C9 C10 C11 C12 0.1(5) . . . . ?
C3 C4 C5 C6 -0.9(5) . . . . ?
C3 C2 C1 C6 -1.0(5) . . . . ?
C5 C6 C1 C2 -0.3(5) . . . . ?
C5 C6 C7 N8 -155.4(3) . . . . ?
C5 C4 C3 C2 -0.5(5) . . . . ?
C1 C6 C5 C4 1.3(5) . . . . ?
C1 C6 C7 N8 25.5(4) . . . . ?
C1 C2 C3 C4 1.4(5) . . . . ?
C20 O21 C22 C23 59.5(4) . . . . ?
C13 C14 C15 C16 176.1(3) . . . . ?
C13 C14 C15 C17 -66.7(4) . . . . ?
C13 C14 C15 O24 55.5(4) . . . . ?
C13 C14 C9 N8 -177.2(3) . . . . ?
C13 C14 C9 C10 1.5(5) . . . . ?
C13 C12 C11 C10 0.7(6) . . . . ?
C7 N8 C16 C15 179.7(3) . . . . ?
C7 N8 C16 O25 -1.0(5) . . . . ?
C7 N8 C9 C14 -179.8(3) . . . . ?
C7 N8 C9 C10 1.7(5) . . . . ?
C7 C6 C5 C4 -177.9(3) . . . . ?
C7 C6 C1 C2 178.9(3) . . . . ?
C19 N18 C17 C15 -127.5(3) . . . . ?
C19 N18 C23 C22 55.3(4) . . . . ?
C17 C15 C16 N8 -121.9(3) . . . . ?
C17 C15 C16 O25 58.8(4) . . . . ?
C17 N18 C19 C20 179.4(3) . . . . ?
C17 N18 C23 C22 -179.7(3) . . . . ?
O24 C15 C16 N8 122.6(3) . . . . ?
O24 C15 C16 O25 -56.6(4) . . . . ?
O24 C15 C17 N18 169.2(3) . . . . ?
C22 O21 C20 C19 -59.1(4) . . . . ?
C23 N18 C19 C20 -55.1(4) . . . . ?
C23 N18 C17 C15 108.9(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
