# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_cu_20241641_0m
_database_code_depnum_ccdc_archive 'CCDC 2380269'
loop_
_audit_author_name
_audit_author_address
'Yuli He'
;China Pharmaceutical University
China
;
_audit_update_record             
;
2024-08-28 deposited with the CCDC.	2025-05-20 downloaded from the CCDC.
;
_audit_creation_date             2024-08-27
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H21 N O2'
_chemical_formula_sum            'C27 H21 N O2'
_chemical_formula_weight         391.45
_chemical_absolute_configuration rmad
_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'
O O 0.0492 0.0322 '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           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   6.3648(2)
_cell_length_b                   9.0644(3)
_cell_length_c                   9.3365(3)
_cell_angle_alpha                73.8100(10)
_cell_angle_beta                 73.5040(10)
_cell_angle_gamma                85.1640(10)
_cell_volume                     495.99(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9924
_cell_measurement_temperature    173
_cell_measurement_theta_max      74.437
_cell_measurement_theta_min      6.184
_shelx_estimated_absorpt_T_max   0.968
_shelx_estimated_absorpt_T_min   0.926
_exptl_absorpt_coefficient_mu    0.650
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.5644
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1481 before and 0.0927 after correction.
The Ratio of minimum to maximum transmission is 0.7487.
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    1.311
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             206
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_av_unetI/netI     0.0471
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            16750
_diffrn_reflns_point_group_measured_fraction_full 0.951
_diffrn_reflns_point_group_measured_fraction_max 0.934
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.428
_diffrn_reflns_theta_min         6.184
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.2
_diffrn_source_power             0.06
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.890
_reflns_Friedel_fraction_full    0.912
_reflns_Friedel_fraction_max     0.880
_reflns_number_gt                3716
_reflns_number_total             3796
_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 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.180
_refine_diff_density_min         -0.221
_refine_diff_density_rms         0.051
_refine_ls_abs_structure_details 
;
 Flack x determined using 1680 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.06(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         3796
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_gt           0.0440
_refine_ls_restrained_S_all      1.040
_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)+(0.0815P)²+0.0541P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1177
_refine_ls_wR_factor_ref         0.1189
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(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:
 C7(H7)
2.b Aromatic/amide H refined with riding coordinates:
 C20(H20), C6(H6), C14(H14), C18(H18), C13(H13), C26(H26), C17(H17), C2(H2),
 C15(H15), C22(H22), C5(H5), C25(H25), C4(H4), C3(H3), C16(H16), C23(H23)
2.c Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C)
2.d Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_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
O1 O 1.0363(3) 0.3699(3) 0.6522(2) 0.0379(4) Uani 1 1 d . . . . .
H1 H 1.138331 0.373688 0.571165 0.057 Uiso 1 1 calc R U . . .
O2 O 0.0254(3) 0.8908(2) 0.3287(2) 0.0413(5) Uani 1 1 d . . . . .
N1 N 0.4091(3) 0.3831(2) 0.4077(2) 0.0283(4) Uani 1 1 d . . . . .
C9 C 0.5750(3) 0.5495(3) 0.5073(2) 0.0231(4) Uani 1 1 d . . . . .
C10 C 0.5798(3) 0.4674(2) 0.3867(2) 0.0222(4) Uani 1 1 d . . . . .
C20 C 0.2960(4) 0.7322(3) 0.4146(3) 0.0274(5) Uani 1 1 d . . . . .
H20 H 0.295192 0.678239 0.340885 0.033 Uiso 1 1 calc R U . . .
C11 C 0.7645(4) 0.4856(2) 0.2539(2) 0.0225(4) Uani 1 1 d . . . . .
C12 C 0.7680(4) 0.4025(3) 0.1446(2) 0.0255(5) Uani 1 1 d . . . . .
C19 C 0.4371(4) 0.6833(3) 0.5107(2) 0.0250(5) Uani 1 1 d . . . . .
C7 C 0.8333(4) 0.3531(3) 0.6237(3) 0.0291(5) Uani 1 1 d . . . . .
H7 H 0.862692 0.322110 0.525013 0.035 Uiso 1 1 calc R U . . .
C24 C 0.4419(4) 0.7694(3) 0.6167(3) 0.0298(5) Uani 1 1 d . . . . .
C8 C 0.7034(4) 0.5028(3) 0.6083(2) 0.0270(5) Uani 1 1 d . . . . .
C6 C 0.4791(4) 0.2186(3) 0.8088(3) 0.0321(5) Uani 1 1 d . . . . .
H6 H 0.395099 0.296519 0.758057 0.039 Uiso 1 1 calc R U . . .
C14 C 0.4112(4) 0.3086(3) 0.2982(3) 0.0319(5) Uani 1 1 d . . . . .
H14 H 0.285779 0.250935 0.311818 0.038 Uiso 1 1 calc R U . . .
C1 C 0.7069(4) 0.2233(3) 0.7583(3) 0.0276(5) Uani 1 1 d . . . . .
C18 C 0.9414(4) 0.5850(3) 0.2248(3) 0.0288(5) Uani 1 1 d . . . . .
H18 H 0.938810 0.644569 0.294424 0.035 Uiso 1 1 calc R U . . .
C13 C 0.5828(4) 0.3126(3) 0.1712(3) 0.0306(5) Uani 1 1 d . . . . .
H13 H 0.578286 0.255472 0.100858 0.037 Uiso 1 1 calc R U . . .
C26 C 0.7112(4) 0.5934(3) 0.7096(3) 0.0317(5) Uani 1 1 d . . . . .
H26 H 0.804776 0.563329 0.776022 0.038 Uiso 1 1 calc R U . . .
C17 C 1.1162(4) 0.5953(3) 0.0964(3) 0.0377(6) Uani 1 1 d . . . . .
H17 H 1.234078 0.662024 0.077609 0.045 Uiso 1 1 calc R U . . .
C2 C 0.8267(5) 0.1049(3) 0.8316(3) 0.0347(6) Uani 1 1 d . . . . .
H2 H 0.982242 0.105720 0.797332 0.042 Uiso 1 1 calc R U . . .
C15 C 0.9529(4) 0.4133(3) 0.0157(3) 0.0316(5) Uani 1 1 d . . . . .
H15 H 0.959253 0.354159 -0.054934 0.038 Uiso 1 1 calc R U . . .
C22 C 0.1606(5) 0.9406(3) 0.5318(3) 0.0368(6) Uani 1 1 d . . . . .
H22 H 0.065093 1.026118 0.539769 0.044 Uiso 1 1 calc R U . . .
C5 C 0.3736(5) 0.0997(3) 0.9339(3) 0.0380(6) Uani 1 1 d . . . . .
H5 H 0.218160 0.098480 0.969320 0.046 Uiso 1 1 calc R U . . .
C21 C 0.1592(4) 0.8567(3) 0.4255(3) 0.0306(5) Uani 1 1 d . . . . .
C25 C 0.5859(5) 0.7226(3) 0.7119(3) 0.0359(6) Uani 1 1 d . . . . .
H25 H 0.595456 0.782373 0.778741 0.043 Uiso 1 1 calc R U . . .
C4 C 0.4936(6) -0.0161(3) 1.0065(3) 0.0426(7) Uani 1 1 d . . . . .
H4 H 0.421005 -0.096571 1.091698 0.051 Uiso 1 1 calc R U . . .
C3 C 0.7196(6) -0.0146(3) 0.9548(3) 0.0428(7) Uani 1 1 d . . . . .
H3 H 0.802406 -0.095163 1.003287 0.051 Uiso 1 1 calc R U . . .
C16 C 1.1222(5) 0.5073(3) -0.0083(3) 0.0384(6) Uani 1 1 d . . . . .
H16 H 1.245186 0.514032 -0.095900 0.046 Uiso 1 1 calc R U . . .
C23 C 0.3006(5) 0.8974(3) 0.6227(3) 0.0374(6) Uani 1 1 d . . . . .
H23 H 0.303334 0.955498 0.692556 0.045 Uiso 1 1 calc R U . . .
C27 C -0.1240(5) 1.0168(3) 0.3353(4) 0.0449(7) Uani 1 1 d . . . . .
H27A H -0.221056 1.018415 0.270042 0.067 Uiso 1 1 calc R U . . .
H27B H -0.041976 1.113106 0.297885 0.067 Uiso 1 1 calc R U . . .
H27C H -0.211724 1.005309 0.442647 0.067 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
O1 H1 0.8400 . ?
O1 C7 1.419(3) . ?
O2 C21 1.369(3) . ?
O2 C27 1.426(3) . ?
N1 C10 1.318(3) . ?
N1 C14 1.370(3) . ?
C9 C10 1.505(3) . ?
C9 C19 1.439(3) . ?
C9 C8 1.376(3) . ?
C10 C11 1.427(3) . ?
C20 H20 0.9500 . ?
C20 C19 1.406(3) . ?
C20 C21 1.375(3) . ?
C11 C12 1.422(3) . ?
C11 C18 1.419(3) . ?
C12 C13 1.413(3) . ?
C12 C15 1.412(3) . ?
C19 C24 1.428(3) . ?
C7 H7 1.0000 . ?
C7 C8 1.522(3) . ?
C7 C1 1.540(3) . ?
C24 C25 1.413(4) . ?
C24 C23 1.410(4) . ?
C8 C26 1.427(3) . ?
C6 H6 0.9500 . ?
C6 C1 1.392(4) . ?
C6 C5 1.397(4) . ?
C14 H14 0.9500 . ?
C14 C13 1.359(4) . ?
C1 C2 1.397(3) . ?
C18 H18 0.9500 . ?
C18 C17 1.371(4) . ?
C13 H13 0.9500 . ?
C26 H26 0.9500 . ?
C26 C25 1.362(4) . ?
C17 H17 0.9500 . ?
C17 C16 1.414(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.394(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.360(4) . ?
C22 H22 0.9500 . ?
C22 C21 1.411(4) . ?
C22 C23 1.362(4) . ?
C5 H5 0.9500 . ?
C5 C4 1.381(4) . ?
C25 H25 0.9500 . ?
C4 H4 0.9500 . ?
C4 C3 1.381(5) . ?
C3 H3 0.9500 . ?
C16 H16 0.9500 . ?
C23 H23 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?

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
C7 O1 H1 109.5 . . ?
C21 O2 C27 119.0(2) . . ?
C10 N1 C14 118.4(2) . . ?
C19 C9 C10 117.93(19) . . ?
C8 C9 C10 121.76(19) . . ?
C8 C9 C19 120.28(19) . . ?
N1 C10 C9 117.92(19) . . ?
N1 C10 C11 122.7(2) . . ?
C11 C10 C9 119.38(19) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 H20 119.4 . . ?
C21 C20 C19 121.1(2) . . ?
C12 C11 C10 118.1(2) . . ?
C18 C11 C10 123.0(2) . . ?
C18 C11 C12 118.8(2) . . ?
C13 C12 C11 117.6(2) . . ?
C15 C12 C11 119.3(2) . . ?
C15 C12 C13 123.1(2) . . ?
C20 C19 C9 122.5(2) . . ?
C20 C19 C24 118.6(2) . . ?
C24 C19 C9 118.9(2) . . ?
O1 C7 H7 108.8 . . ?
O1 C7 C8 111.2(2) . . ?
O1 C7 C1 107.49(19) . . ?
C8 C7 H7 108.8 . . ?
C8 C7 C1 111.58(18) . . ?
C1 C7 H7 108.8 . . ?
C25 C24 C19 118.9(2) . . ?
C23 C24 C19 118.4(2) . . ?
C23 C24 C25 122.7(2) . . ?
C9 C8 C7 123.1(2) . . ?
C9 C8 C26 119.8(2) . . ?
C26 C8 C7 117.0(2) . . ?
C1 C6 H6 119.9 . . ?
C1 C6 C5 120.2(2) . . ?
C5 C6 H6 119.9 . . ?
N1 C14 H14 118.2 . . ?
C13 C14 N1 123.7(2) . . ?
C13 C14 H14 118.2 . . ?
C6 C1 C7 122.8(2) . . ?
C6 C1 C2 118.8(2) . . ?
C2 C1 C7 118.4(2) . . ?
C11 C18 H18 119.9 . . ?
C17 C18 C11 120.2(2) . . ?
C17 C18 H18 119.9 . . ?
C12 C13 H13 120.3 . . ?
C14 C13 C12 119.4(2) . . ?
C14 C13 H13 120.3 . . ?
C8 C26 H26 119.7 . . ?
C25 C26 C8 120.7(2) . . ?
C25 C26 H26 119.7 . . ?
C18 C17 H17 119.7 . . ?
C18 C17 C16 120.5(2) . . ?
C16 C17 H17 119.7 . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.5(3) . . ?
C3 C2 H2 119.8 . . ?
C12 C15 H15 119.7 . . ?
C16 C15 C12 120.7(2) . . ?
C16 C15 H15 119.7 . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C23 C22 C21 119.1(2) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 C6 120.5(3) . . ?
C4 C5 H5 119.7 . . ?
O2 C21 C20 115.8(2) . . ?
O2 C21 C22 123.7(2) . . ?
C20 C21 C22 120.5(2) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 C24 121.2(2) . . ?
C26 C25 H25 119.4 . . ?
C5 C4 H4 120.1 . . ?
C5 C4 C3 119.7(3) . . ?
C3 C4 H4 120.1 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.2(3) . . ?
C4 C3 H3 119.9 . . ?
C17 C16 H16 119.8 . . ?
C15 C16 C17 120.4(2) . . ?
C15 C16 H16 119.8 . . ?
C24 C23 H23 118.9 . . ?
C22 C23 C24 122.3(2) . . ?
C22 C23 H23 118.9 . . ?
O2 C27 H27A 109.5 . . ?
O2 C27 H27B 109.5 . . ?
O2 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 C7 C8 C9 144.2(2) . . . . ?
O1 C7 C8 C26 -38.5(3) . . . . ?
O1 C7 C1 C6 150.3(2) . . . . ?
O1 C7 C1 C2 -30.2(3) . . . . ?
N1 C10 C11 C12 -3.5(3) . . . . ?
N1 C10 C11 C18 175.2(2) . . . . ?
N1 C14 C13 C12 -2.5(4) . . . . ?
C9 C10 C11 C12 177.84(18) . . . . ?
C9 C10 C11 C18 -3.5(3) . . . . ?
C9 C19 C24 C25 1.6(3) . . . . ?
C9 C19 C24 C23 -177.9(2) . . . . ?
C9 C8 C26 C25 2.7(4) . . . . ?
C10 N1 C14 C13 2.2(4) . . . . ?
C10 C9 C19 C20 5.0(3) . . . . ?
C10 C9 C19 C24 -175.57(19) . . . . ?
C10 C9 C8 C7 -9.4(3) . . . . ?
C10 C9 C8 C26 173.3(2) . . . . ?
C10 C11 C12 C13 3.0(3) . . . . ?
C10 C11 C12 C15 -177.3(2) . . . . ?
C10 C11 C18 C17 178.8(2) . . . . ?
C20 C19 C24 C25 -179.0(2) . . . . ?
C20 C19 C24 C23 1.5(3) . . . . ?
C11 C12 C13 C14 -0.2(3) . . . . ?
C11 C12 C15 C16 -3.0(3) . . . . ?
C11 C18 C17 C16 0.0(4) . . . . ?
C12 C11 C18 C17 -2.5(3) . . . . ?
C12 C15 C16 C17 0.4(4) . . . . ?
C19 C9 C10 N1 -74.5(3) . . . . ?
C19 C9 C10 C11 104.2(2) . . . . ?
C19 C9 C8 C7 172.9(2) . . . . ?
C19 C9 C8 C26 -4.3(3) . . . . ?
C19 C20 C21 O2 -178.4(2) . . . . ?
C19 C20 C21 C22 1.3(4) . . . . ?
C19 C24 C25 C26 -3.2(4) . . . . ?
C19 C24 C23 C22 0.3(4) . . . . ?
C7 C8 C26 C25 -174.7(2) . . . . ?
C7 C1 C2 C3 179.5(2) . . . . ?
C8 C9 C10 N1 107.8(2) . . . . ?
C8 C9 C10 C11 -73.5(3) . . . . ?
C8 C9 C19 C20 -177.3(2) . . . . ?
C8 C9 C19 C24 2.2(3) . . . . ?
C8 C7 C1 C6 28.1(3) . . . . ?
C8 C7 C1 C2 -152.4(2) . . . . ?
C8 C26 C25 C24 1.2(4) . . . . ?
C6 C1 C2 C3 -1.0(4) . . . . ?
C6 C5 C4 C3 -0.2(4) . . . . ?
C14 N1 C10 C9 179.6(2) . . . . ?
C14 N1 C10 C11 0.9(3) . . . . ?
C1 C7 C8 C9 -95.8(2) . . . . ?
C1 C7 C8 C26 81.5(3) . . . . ?
C1 C6 C5 C4 -1.5(4) . . . . ?
C1 C2 C3 C4 -0.6(4) . . . . ?
C18 C11 C12 C13 -175.8(2) . . . . ?
C18 C11 C12 C15 4.0(3) . . . . ?
C18 C17 C16 C15 1.1(4) . . . . ?
C13 C12 C15 C16 176.7(2) . . . . ?
C15 C12 C13 C14 -179.9(2) . . . . ?
C5 C6 C1 C7 -178.5(2) . . . . ?
C5 C6 C1 C2 2.0(4) . . . . ?
C5 C4 C3 C2 1.2(4) . . . . ?
C21 C20 C19 C9 177.1(2) . . . . ?
C21 C20 C19 C24 -2.3(3) . . . . ?
C21 C22 C23 C24 -1.3(4) . . . . ?
C25 C24 C23 C22 -179.2(3) . . . . ?
C23 C24 C25 C26 176.2(2) . . . . ?
C23 C22 C21 O2 -179.8(2) . . . . ?
C23 C22 C21 C20 0.5(4) . . . . ?
C27 O2 C21 C20 178.9(2) . . . . ?
C27 O2 C21 C22 -0.9(4) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
