# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_1_a
_database_code_depnum_ccdc_archive 'CCDC 2381305'
loop_
_audit_author_name
_audit_author_address
'Zhenyu An'
;Ningxia Medical University
China
;
_audit_update_record             
;
2024-09-02 deposited with the CCDC.	2025-03-03 downloaded from the CCDC.
;
_audit_creation_date             2024-03-19
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6403)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H18 N2 O'
_chemical_formula_sum            'C25 H18 N2 O'
_chemical_formula_weight         362.41
_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 0.0181 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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   5.80080(10)
_cell_length_b                   12.5114(3)
_cell_length_c                   24.7796(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1798.41(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4886
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      66.20
_cell_measurement_theta_min      3.57
_shelx_estimated_absorpt_T_max   0.892
_shelx_estimated_absorpt_T_min   0.871
_exptl_absorpt_coefficient_mu    0.647
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.3808
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1268 before and 0.0876 after correction.
The Ratio of minimum to maximum transmission is 0.5058.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0704
_diffrn_reflns_av_unetI/netI     0.0603
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            10687
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        66.491
_diffrn_reflns_theta_max         66.491
_diffrn_reflns_theta_min         3.567
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.663
_reflns_Friedel_fraction_full    0.940
_reflns_Friedel_fraction_max     0.940
_reflns_number_gt                2642
_reflns_number_total             3078
_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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.167
_refine_diff_density_min         -0.282
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details 
;
 Flack x determined using 939 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.5(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         3078
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0471
_refine_ls_restrained_S_all      1.028
_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)+(0.0810P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1226
_refine_ls_wR_factor_ref         0.1266
_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
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C13(H13), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25)
2.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C)
;
_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
C1 C 0.7218(6) 0.1416(2) 0.64835(14) 0.0585(8) Uani 1 1 d . . . . .
H1 H 0.6047 0.1304 0.6734 0.070 Uiso 1 1 calc R U . . .
C2 C 0.8734(7) 0.0607(3) 0.63775(16) 0.0677(10) Uani 1 1 d . . . . .
H2 H 0.8600 -0.0044 0.6555 0.081 Uiso 1 1 calc R U . . .
C3 C 1.0464(6) 0.0766(3) 0.60049(15) 0.0666(9) Uani 1 1 d . . . . .
H3 H 1.1490 0.0215 0.5929 0.080 Uiso 1 1 calc R U . . .
C4 C 1.0688(6) 0.1728(3) 0.57440(13) 0.0577(8) Uani 1 1 d . . . . .
H4 H 1.1868 0.1826 0.5495 0.069 Uiso 1 1 calc R U . . .
C5 C 0.9144(5) 0.2567(2) 0.58514(11) 0.0419(6) Uani 1 1 d . . . . .
C6 C 0.7380(5) 0.2412(2) 0.62251(10) 0.0420(6) Uani 1 1 d . . . . .
C7 C 0.5791(5) 0.3289(2) 0.63402(10) 0.0383(6) Uani 1 1 d . . . . .
C8 C 0.6058(5) 0.42654(19) 0.60693(10) 0.0376(6) Uani 1 1 d . . . . .
C9 C 0.7753(5) 0.4366(2) 0.56296(10) 0.0412(6) Uani 1 1 d . . . . .
C10 C 1.1148(5) 0.3697(3) 0.51757(13) 0.0616(9) Uani 1 1 d . . . . .
H10A H 1.2609 0.3502 0.5329 0.092 Uiso 1 1 calc R U . . .
H10B H 1.1185 0.4433 0.5068 0.092 Uiso 1 1 calc R U . . .
H10C H 1.0843 0.3256 0.4867 0.092 Uiso 1 1 calc R U . . .
C11 C 0.4559(5) 0.5119(2) 0.62091(10) 0.0382(6) Uani 1 1 d . . . . .
C12 C 0.4846(5) 0.6237(2) 0.59991(10) 0.0397(6) Uani 1 1 d . . . . .
C13 C 0.3089(5) 0.6730(2) 0.57146(11) 0.0471(7) Uani 1 1 d . . . . .
H13 H 0.1730 0.6361 0.5645 0.056 Uiso 1 1 calc R U . . .
C14 C 0.3350(6) 0.7770(2) 0.55340(12) 0.0544(8) Uani 1 1 d . . . . .
H14 H 0.2186 0.8092 0.5333 0.065 Uiso 1 1 calc R U . . .
C15 C 0.5327(6) 0.8328(2) 0.56513(12) 0.0549(8) Uani 1 1 d . . . . .
H15 H 0.5486 0.9031 0.5535 0.066 Uiso 1 1 calc R U . . .
C16 C 0.7057(6) 0.7855(2) 0.59376(13) 0.0542(8) Uani 1 1 d . . . . .
H16 H 0.8390 0.8236 0.6018 0.065 Uiso 1 1 calc R U . . .
C17 C 0.6825(5) 0.6799(2) 0.61099(12) 0.0491(7) Uani 1 1 d . . . . .
H17 H 0.8015 0.6474 0.6300 0.059 Uiso 1 1 calc R U . . .
C18 C 0.3991(5) 0.3197(2) 0.67106(10) 0.0430(6) Uani 1 1 d . . . . .
H18 H 0.3770 0.2557 0.6894 0.052 Uiso 1 1 calc R U . . .
C19 C 0.2534(5) 0.4049(2) 0.68076(10) 0.0404(6) Uani 1 1 d . . . . .
C20 C 0.0595(5) 0.3983(2) 0.71962(10) 0.0436(7) Uani 1 1 d . . . . .
C21 C 0.0163(6) 0.3085(3) 0.75116(15) 0.0655(9) Uani 1 1 d . . . . .
H21 H 0.1147 0.2500 0.7486 0.079 Uiso 1 1 calc R U . . .
C22 C -0.1682(6) 0.3039(3) 0.78598(14) 0.0743(11) Uani 1 1 d . . . . .
H22 H -0.1925 0.2428 0.8066 0.089 Uiso 1 1 calc R U . . .
C23 C -0.3153(6) 0.3880(3) 0.79037(13) 0.0687(10) Uani 1 1 d . . . . .
H23 H -0.4403 0.3847 0.8138 0.082 Uiso 1 1 calc R U . . .
C24 C -0.2774(6) 0.4782(3) 0.75978(14) 0.0659(9) Uani 1 1 d . . . . .
H24 H -0.3775 0.5360 0.7625 0.079 Uiso 1 1 calc R U . . .
C25 C -0.0920(6) 0.4833(2) 0.72509(12) 0.0527(8) Uani 1 1 d . . . . .
H25 H -0.0680 0.5450 0.7049 0.063 Uiso 1 1 calc R U . . .
N1 N 0.9336(4) 0.35410(18) 0.55762(9) 0.0447(6) Uani 1 1 d . . . . .
N2 N 0.2849(4) 0.50023(17) 0.65593(9) 0.0420(6) Uani 1 1 d . . . . .
O1 O 0.7805(4) 0.51193(16) 0.53137(9) 0.0623(6) Uani 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
C1 H1 0.9300 . ?
C1 C2 1.366(4) . ?
C1 C6 1.404(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.378(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.373(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.404(4) . ?
C5 C6 1.393(4) . ?
C5 N1 1.401(3) . ?
C6 C7 1.461(4) . ?
C7 C8 1.403(3) . ?
C7 C18 1.395(4) . ?
C8 C9 1.473(4) . ?
C8 C11 1.420(4) . ?
C9 N1 1.388(3) . ?
C9 O1 1.226(3) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 N1 1.459(3) . ?
C11 C12 1.501(3) . ?
C11 N2 1.326(3) . ?
C12 C13 1.384(4) . ?
C12 C17 1.374(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.385(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.373(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.364(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.395(4) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C18 C19 1.381(4) . ?
C19 C20 1.483(4) . ?
C19 N2 1.355(3) . ?
C20 C21 1.391(4) . ?
C20 C25 1.387(4) . ?
C21 H21 0.9300 . ?
C21 C22 1.376(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.359(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.377(5) . ?
C24 H24 0.9300 . ?
C24 C25 1.378(5) . ?
C25 H25 0.9300 . ?

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
C2 C1 H1 119.1 . . ?
C2 C1 C6 121.8(3) . . ?
C6 C1 H1 119.1 . . ?
C1 C2 H2 120.3 . . ?
C1 C2 C3 119.4(3) . . ?
C3 C2 H2 120.3 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.7(3) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.4(3) . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 119.4(3) . . ?
C6 C5 N1 120.2(2) . . ?
N1 C5 C4 120.5(3) . . ?
C1 C6 C7 122.4(3) . . ?
C5 C6 C1 118.4(3) . . ?
C5 C6 C7 119.3(2) . . ?
C8 C7 C6 119.4(2) . . ?
C18 C7 C6 122.6(2) . . ?
C18 C7 C8 118.0(2) . . ?
C7 C8 C9 120.1(2) . . ?
C7 C8 C11 118.1(2) . . ?
C11 C8 C9 121.7(2) . . ?
N1 C9 C8 116.7(2) . . ?
O1 C9 C8 123.7(2) . . ?
O1 C9 N1 119.7(2) . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C10 H10A 109.5 . . ?
N1 C10 H10B 109.5 . . ?
N1 C10 H10C 109.5 . . ?
C8 C11 C12 123.2(2) . . ?
N2 C11 C8 122.3(2) . . ?
N2 C11 C12 114.4(2) . . ?
C13 C12 C11 120.7(3) . . ?
C17 C12 C11 120.0(2) . . ?
C17 C12 C13 119.3(3) . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.2(3) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0(3) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.3(3) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 119.9(3) . . ?
C17 C16 H16 120.0 . . ?
C12 C17 C16 120.3(3) . . ?
C12 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C7 C18 H18 119.7 . . ?
C19 C18 C7 120.6(2) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 C20 122.3(2) . . ?
N2 C19 C18 121.2(2) . . ?
N2 C19 C20 116.5(2) . . ?
C21 C20 C19 123.1(3) . . ?
C25 C20 C19 120.1(2) . . ?
C25 C20 C21 116.8(3) . . ?
C20 C21 H21 119.1 . . ?
C22 C21 C20 121.7(3) . . ?
C22 C21 H21 119.1 . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.4(3) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 120.3 . . ?
C22 C23 C24 119.4(3) . . ?
C24 C23 H23 120.3 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.4(3) . . ?
C25 C24 H24 119.8 . . ?
C20 C25 H25 119.3 . . ?
C24 C25 C20 121.3(3) . . ?
C24 C25 H25 119.3 . . ?
C5 N1 C10 120.3(2) . . ?
C9 N1 C5 123.3(2) . . ?
C9 N1 C10 116.3(2) . . ?
C11 N2 C19 119.7(2) . . ?

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
C1 C2 C3 C4 0.6(5) . . . . ?
C1 C6 C7 C8 179.7(3) . . . . ?
C1 C6 C7 C18 -0.5(4) . . . . ?
C2 C1 C6 C5 0.0(5) . . . . ?
C2 C1 C6 C7 -179.1(3) . . . . ?
C2 C3 C4 C5 -0.3(5) . . . . ?
C3 C4 C5 C6 0.0(4) . . . . ?
C3 C4 C5 N1 -178.5(3) . . . . ?
C4 C5 C6 C1 0.2(4) . . . . ?
C4 C5 C6 C7 179.4(3) . . . . ?
C4 C5 N1 C9 174.3(3) . . . . ?
C4 C5 N1 C10 -0.2(4) . . . . ?
C5 C6 C7 C8 0.5(4) . . . . ?
C5 C6 C7 C18 -179.7(2) . . . . ?
C6 C1 C2 C3 -0.4(5) . . . . ?
C6 C5 N1 C9 -4.1(4) . . . . ?
C6 C5 N1 C10 -178.6(2) . . . . ?
C6 C7 C8 C9 6.9(4) . . . . ?
C6 C7 C8 C11 -176.9(2) . . . . ?
C6 C7 C18 C19 179.8(2) . . . . ?
C7 C8 C9 N1 -12.5(3) . . . . ?
C7 C8 C9 O1 166.5(3) . . . . ?
C7 C8 C11 C12 172.4(2) . . . . ?
C7 C8 C11 N2 -4.2(4) . . . . ?
C7 C18 C19 C20 179.7(2) . . . . ?
C7 C18 C19 N2 -2.0(4) . . . . ?
C8 C7 C18 C19 -0.4(4) . . . . ?
C8 C9 N1 C5 11.2(3) . . . . ?
C8 C9 N1 C10 -174.1(2) . . . . ?
C8 C11 C12 C13 122.1(3) . . . . ?
C8 C11 C12 C17 -60.9(3) . . . . ?
C8 C11 N2 C19 1.9(4) . . . . ?
C9 C8 C11 C12 -11.5(4) . . . . ?
C9 C8 C11 N2 172.0(2) . . . . ?
C11 C8 C9 N1 171.4(2) . . . . ?
C11 C8 C9 O1 -9.5(4) . . . . ?
C11 C12 C13 C14 178.4(2) . . . . ?
C11 C12 C17 C16 -177.0(2) . . . . ?
C12 C11 N2 C19 -175.0(2) . . . . ?
C12 C13 C14 C15 -2.0(4) . . . . ?
C13 C12 C17 C16 0.1(4) . . . . ?
C13 C14 C15 C16 1.1(4) . . . . ?
C14 C15 C16 C17 0.3(4) . . . . ?
C15 C16 C17 C12 -0.9(4) . . . . ?
C17 C12 C13 C14 1.4(4) . . . . ?
C18 C7 C8 C9 -172.9(2) . . . . ?
C18 C7 C8 C11 3.3(4) . . . . ?
C18 C19 C20 C21 3.4(4) . . . . ?
C18 C19 C20 C25 -175.3(3) . . . . ?
C18 C19 N2 C11 1.2(4) . . . . ?
C19 C20 C21 C22 -178.5(3) . . . . ?
C19 C20 C25 C24 178.2(3) . . . . ?
C20 C19 N2 C11 179.6(2) . . . . ?
C20 C21 C22 C23 0.2(6) . . . . ?
C21 C20 C25 C24 -0.6(4) . . . . ?
C21 C22 C23 C24 -0.2(5) . . . . ?
C22 C23 C24 C25 -0.1(5) . . . . ?
C23 C24 C25 C20 0.6(5) . . . . ?
C25 C20 C21 C22 0.2(5) . . . . ?
N1 C5 C6 C1 178.6(3) . . . . ?
N1 C5 C6 C7 -2.2(3) . . . . ?
N2 C11 C12 C13 -61.1(3) . . . . ?
N2 C11 C12 C17 115.9(3) . . . . ?
N2 C19 C20 C21 -175.0(3) . . . . ?
N2 C19 C20 C25 6.3(4) . . . . ?
O1 C9 N1 C5 -167.9(2) . . . . ?
O1 C9 N1 C10 6.8(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
