# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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 
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data_230612zh_zhcz299138_zcs_0m
_database_code_depnum_ccdc_archive 'CCDC 2300973'
loop_
_audit_author_name
_audit_author_address
'Yi Xiao'
;Guilin university  of technolegy
China
;
_audit_update_record             
;
2023-10-12 deposited with the CCDC.	2023-11-23 downloaded from the CCDC.
;
_audit_creation_date             2023-06-28
_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        orthorhombic
_chemical_formula_moiety         'C32 H19 N'
_chemical_formula_sum            'C32 H19 N'
_chemical_formula_weight         417.48
_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 0.0137 0.0067 '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 0.0241 0.0134 '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           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   12.987(2)
_cell_length_b                   21.072(3)
_cell_length_c                   7.5399(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2063.4(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2561
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      50.165
_cell_measurement_theta_min      3.478
_shelx_estimated_absorpt_T_max   0.963
_shelx_estimated_absorpt_T_min   0.895
_exptl_absorpt_coefficient_mu    0.378
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.3858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1321 before and 0.0881 after correction.
The Ratio of minimum to maximum transmission is 0.5140.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0948
_diffrn_reflns_av_unetI/netI     0.0930
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            13080
_diffrn_reflns_point_group_measured_fraction_full 0.794
_diffrn_reflns_point_group_measured_fraction_max 0.791
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.056
_diffrn_reflns_theta_min         3.478
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       ?
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.1993706
_diffrn_source_voltage           69.71
_reflns_Friedel_coverage         0.488
_reflns_Friedel_fraction_full    0.573
_reflns_Friedel_fraction_max     0.568
_reflns_number_gt                1749
_reflns_number_total             3005
_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  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.319
_refine_diff_density_min         -0.391
_refine_diff_density_rms         0.080
_refine_ls_abs_structure_details 
;
 Flack x determined using 345 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -1.9(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         3005
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.1514
_refine_ls_R_factor_gt           0.0892
_refine_ls_restrained_S_all      1.117
_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)+(0.1375P)²+0.8147P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2251
_refine_ls_wR_factor_ref         0.2697
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C22-C23
 1.47 with sigma of 0.001
 C32-C2
 1.47 with sigma of 0.01
 C6-C7
 1.47 with sigma of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C4(H4), C3(H3), C10(H10), C9(H9), C8(H8), C11(H11), C14(H14),
 C15(H15), C17(H17), C18(H18), C19(H19), C20(H20), C25(H25), C28(H28), C27(H27),
  C26(H26), C30(H30), C31(H31)
3.b Fitted hexagon refined as free rotating group:
 C6(C5,C4,C3,C2,C1), C10(C9,C8,C7,C12,C11), C17(C18,C19,C20,C21,C16), C25(C24,
 C29,C28,C27,C26)
;
_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
N1 N 0.5265(5) 0.1868(3) 0.7298(10) 0.0391(17) Uani 1 1 d . . . . .
C6 C 0.6800(4) 0.1360(2) 0.7853(9) 0.044(2) Uani 1 1 d DG . . . .
C5 C 0.7867(4) 0.1306(2) 0.7823(9) 0.044(2) Uani 1 1 d G . . . .
H5 H 0.818628 0.092626 0.822350 0.052 Uiso 1 1 calc R U . . .
C4 C 0.8466(3) 0.1806(3) 0.7207(10) 0.047(2) Uani 1 1 d G . . . .
H4 H 0.919478 0.176840 0.718676 0.057 Uiso 1 1 calc R U . . .
C3 C 0.7998(4) 0.2361(2) 0.6621(10) 0.044(2) Uani 1 1 d G . . . .
H3 H 0.840791 0.270288 0.619992 0.053 Uiso 1 1 calc R U . . .
C2 C 0.6932(4) 0.2416(2) 0.6650(10) 0.042(2) Uani 1 1 d DG . . . .
C1 C 0.6333(3) 0.1916(3) 0.7266(10) 0.038(2) Uani 1 1 d G . . . .
C10 C 0.4078(4) 0.0480(3) 0.9634(10) 0.049(2) Uani 1 1 d G . . . .
H10 H 0.343324 0.031190 1.000276 0.059 Uiso 1 1 calc R U . . .
C9 C 0.4983(5) 0.0159(2) 1.0037(10) 0.054(3) Uani 1 1 d G . . . .
H9 H 0.495735 -0.022842 1.068101 0.065 Uiso 1 1 calc R U . . .
C8 C 0.5926(4) 0.0404(3) 0.9497(10) 0.050(3) Uani 1 1 d G . . . .
H8 H 0.654445 0.018483 0.977263 0.060 Uiso 1 1 calc R U . . .
C7 C 0.5963(3) 0.0971(3) 0.8555(9) 0.040(2) Uani 1 1 d DG . . . .
C12 C 0.5058(4) 0.1292(2) 0.8152(9) 0.040(2) Uani 1 1 d G . . . .
C11 C 0.4115(3) 0.1046(3) 0.8691(9) 0.048(3) Uani 1 1 d G . . . .
H11 H 0.349624 0.126549 0.841609 0.058 Uiso 1 1 calc R U . . .
C13 C 0.4733(6) 0.2069(4) 0.5712(13) 0.039(2) Uani 1 1 d . . . . .
C14 C 0.4144(6) 0.1610(4) 0.4795(13) 0.039(2) Uani 1 1 d . . . . .
H14 H 0.406238 0.119865 0.528857 0.047 Uiso 1 1 calc R U . . .
C15 C 0.3692(7) 0.1750(5) 0.3216(13) 0.043(2) Uani 1 1 d . . . . .
H15 H 0.329856 0.143543 0.262077 0.051 Uiso 1 1 calc R U . . .
C17 C 0.3363(5) 0.2496(3) 0.0812(9) 0.054(3) Uani 1 1 d G . . . .
H17 H 0.292210 0.219512 0.025923 0.064 Uiso 1 1 calc R U . . .
C18 C 0.3569(5) 0.3071(3) -0.0018(7) 0.050(3) Uani 1 1 d G . . . .
H18 H 0.326867 0.316345 -0.113771 0.060 Uiso 1 1 calc R U . . .
C19 C 0.4214(5) 0.3511(2) 0.0790(9) 0.049(3) Uani 1 1 d G . . . .
H19 H 0.435458 0.390386 0.022293 0.059 Uiso 1 1 calc R U . . .
C20 C 0.4653(4) 0.3375(2) 0.2428(9) 0.040(2) Uani 1 1 d G . . . .
H20 H 0.509393 0.367596 0.298050 0.048 Uiso 1 1 calc R U . . .
C21 C 0.4447(4) 0.2800(3) 0.3258(7) 0.042(2) Uani 1 1 d G . . . .
C16 C 0.3802(5) 0.2360(2) 0.2450(9) 0.041(2) Uani 1 1 d G . . . .
C22 C 0.4862(6) 0.2675(3) 0.5060(8) 0.033(2) Uani 1 1 d D . . . .
C23 C 0.5428(6) 0.3170(4) 0.6028(8) 0.039(2) Uani 1 1 d D . . . .
C25 C 0.3895(4) 0.3876(2) 0.6016(9) 0.043(2) Uani 1 1 d G . . . .
H25 H 0.350293 0.354091 0.551362 0.052 Uiso 1 1 calc R U . . .
C24 C 0.4933(4) 0.3787(2) 0.6390(10) 0.044(2) Uani 1 1 d G . . . .
C29 C 0.5507(3) 0.4277(3) 0.7125(10) 0.044(2) Uani 1 1 d G . . . .
C28 C 0.5043(4) 0.4858(2) 0.7486(10) 0.050(2) Uani 1 1 d G . . . .
H28 H 0.543565 0.519305 0.798850 0.060 Uiso 1 1 calc R U . . .
C27 C 0.4005(5) 0.4947(2) 0.7112(11) 0.054(3) Uani 1 1 d G . . . .
H27 H 0.368831 0.534380 0.735883 0.065 Uiso 1 1 calc R U . . .
C26 C 0.3431(3) 0.4457(3) 0.6377(10) 0.047(2) Uani 1 1 d G . . . .
H26 H 0.272194 0.451774 0.612139 0.057 Uiso 1 1 calc R U . . .
C30 C 0.6541(7) 0.4173(5) 0.7601(14) 0.050(2) Uani 1 1 d . . . . .
H30 H 0.693589 0.451276 0.807551 0.060 Uiso 1 1 calc R U . . .
C31 C 0.6981(7) 0.3593(4) 0.7391(13) 0.046(2) Uani 1 1 d . . . . .
H31 H 0.767031 0.353184 0.777629 0.056 Uiso 1 1 calc R U . . .
C32 C 0.6438(7) 0.3068(4) 0.6603(13) 0.042(2) Uani 1 1 d 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
N1 C1 1.390(8) . ?
N1 C12 1.401(8) . ?
N1 C13 1.445(11) . ?
C6 C5 1.3900 . ?
C6 C1 1.3900 . ?
C6 C7 1.462(6) . ?
C5 H5 0.9500 . ?
C5 C4 1.3900 . ?
C4 H4 0.9500 . ?
C4 C3 1.3900 . ?
C3 H3 0.9500 . ?
C3 C2 1.3900 . ?
C2 C1 1.3900 . ?
C2 C32 1.517(8) . ?
C10 H10 0.9500 . ?
C10 C9 1.3900 . ?
C10 C11 1.3900 . ?
C9 H9 0.9500 . ?
C9 C8 1.3900 . ?
C8 H8 0.9500 . ?
C8 C7 1.3900 . ?
C7 C12 1.3900 . ?
C12 C11 1.3900 . ?
C11 H11 0.9500 . ?
C13 C14 1.414(12) . ?
C13 C22 1.378(11) . ?
C14 H14 0.9500 . ?
C14 C15 1.359(13) . ?
C15 H15 0.9500 . ?
C15 C16 1.417(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.3900 . ?
C17 C16 1.3900 . ?
C18 H18 0.9500 . ?
C18 C19 1.3900 . ?
C19 H19 0.9500 . ?
C19 C20 1.3900 . ?
C20 H20 0.9500 . ?
C20 C21 1.3900 . ?
C21 C16 1.3900 . ?
C21 C22 1.486(8) . ?
C22 C23 1.4703(13) . ?
C23 C24 1.476(9) . ?
C23 C32 1.398(12) . ?
C25 H25 0.9500 . ?
C25 C24 1.3900 . ?
C25 C26 1.3900 . ?
C24 C29 1.3900 . ?
C29 C28 1.3900 . ?
C29 C30 1.407(10) . ?
C28 H28 0.9500 . ?
C28 C27 1.3900 . ?
C27 H27 0.9500 . ?
C27 C26 1.3900 . ?
C26 H26 0.9500 . ?
C30 H30 0.9500 . ?
C30 C31 1.359(12) . ?
C31 H31 0.9500 . ?
C31 C32 1.440(12) . ?

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
C1 N1 C12 105.2(6) . . ?
C1 N1 C13 116.2(6) . . ?
C12 N1 C13 122.9(7) . . ?
C5 C6 C1 120.0 . . ?
C5 C6 C7 134.4(4) . . ?
C1 C6 C7 105.3(4) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 C32 119.7(5) . . ?
C1 C2 C32 117.3(5) . . ?
C6 C1 N1 111.7(5) . . ?
C2 C1 N1 128.2(5) . . ?
C2 C1 C6 120.0 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C8 H8 120.0 . . ?
C7 C8 C9 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C7 C6 133.9(4) . . ?
C12 C7 C6 106.0(4) . . ?
C12 C7 C8 120.0 . . ?
C7 C12 N1 111.1(5) . . ?
C7 C12 C11 120.0 . . ?
C11 C12 N1 128.8(5) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C14 C13 N1 117.6(8) . . ?
C22 C13 N1 120.6(7) . . ?
C22 C13 C14 121.7(8) . . ?
C13 C14 H14 119.5 . . ?
C15 C14 C13 120.9(9) . . ?
C15 C14 H14 119.5 . . ?
C14 C15 H15 119.7 . . ?
C14 C15 C16 120.7(8) . . ?
C16 C15 H15 119.7 . . ?
C18 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 C16 120.0 . . ?
C20 C21 C22 119.8(4) . . ?
C16 C21 C22 120.1(4) . . ?
C17 C16 C15 120.5(5) . . ?
C21 C16 C15 119.1(5) . . ?
C21 C16 C17 120.0 . . ?
C13 C22 C21 116.6(6) . . ?
C13 C22 C23 122.8(7) . . ?
C23 C22 C21 120.6(7) . . ?
C22 C23 C24 119.9(7) . . ?
C32 C23 C22 120.9(7) . . ?
C32 C23 C24 119.1(6) . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C24 C23 120.3(5) . . ?
C25 C24 C29 120.0 . . ?
C29 C24 C23 119.7(5) . . ?
C24 C29 C28 120.0 . . ?
C24 C29 C30 119.8(5) . . ?
C28 C29 C30 120.0(5) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C27 H27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C29 C30 H30 119.6 . . ?
C31 C30 C29 120.8(8) . . ?
C31 C30 H30 119.6 . . ?
C30 C31 H31 118.9 . . ?
C30 C31 C32 122.3(8) . . ?
C32 C31 H31 118.9 . . ?
C23 C32 C2 122.9(7) . . ?
C23 C32 C31 118.0(7) . . ?
C31 C32 C2 118.7(8) . . ?

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
N1 C12 C11 C10 -175.6(7) . . . . ?
N1 C13 C14 C15 -174.5(8) . . . . ?
N1 C13 C22 C21 168.8(7) . . . . ?
N1 C13 C22 C23 -7.9(12) . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C6 C7 C12 N1 -2.0(5) . . . . ?
C6 C7 C12 C11 -178.4(5) . . . . ?
C5 C6 C1 N1 176.5(6) . . . . ?
C5 C6 C1 C2 0.0 . . . . ?
C5 C6 C7 C8 1.9(10) . . . . ?
C5 C6 C7 C12 179.9(5) . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C4 C3 C2 C1 0.0 . . . . ?
C4 C3 C2 C32 160.0(6) . . . . ?
C3 C2 C1 N1 -175.8(7) . . . . ?
C3 C2 C1 C6 0.0 . . . . ?
C3 C2 C32 C23 157.4(7) . . . . ?
C3 C2 C32 C31 -30.7(10) . . . . ?
C1 N1 C12 C7 -3.2(7) . . . . ?
C1 N1 C12 C11 172.7(5) . . . . ?
C1 N1 C13 C14 118.2(8) . . . . ?
C1 N1 C13 C22 -57.1(10) . . . . ?
C1 C6 C5 C4 0.0 . . . . ?
C1 C6 C7 C8 -171.5(4) . . . . ?
C1 C6 C7 C12 6.5(4) . . . . ?
C1 C2 C32 C23 -42.1(10) . . . . ?
C1 C2 C32 C31 129.8(7) . . . . ?
C10 C9 C8 C7 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C9 C8 C7 C6 177.8(7) . . . . ?
C9 C8 C7 C12 0.0 . . . . ?
C8 C7 C12 N1 176.3(5) . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C7 C6 C5 C4 -172.7(7) . . . . ?
C7 C6 C1 N1 -8.9(5) . . . . ?
C7 C6 C1 C2 174.6(5) . . . . ?
C7 C12 C11 C10 0.0 . . . . ?
C12 N1 C1 C6 7.7(7) . . . . ?
C12 N1 C1 C2 -176.2(5) . . . . ?
C12 N1 C13 C14 -13.6(11) . . . . ?
C12 N1 C13 C22 171.1(7) . . . . ?
C11 C10 C9 C8 0.0 . . . . ?
C13 N1 C1 C6 -131.8(6) . . . . ?
C13 N1 C1 C2 44.3(9) . . . . ?
C13 N1 C12 C7 132.9(6) . . . . ?
C13 N1 C12 C11 -51.2(9) . . . . ?
C13 C14 C15 C16 0.1(13) . . . . ?
C13 C22 C23 C24 -125.8(9) . . . . ?
C13 C22 C23 C32 54.7(12) . . . . ?
C14 C13 C22 C21 -6.4(11) . . . . ?
C14 C13 C22 C23 177.0(8) . . . . ?
C14 C15 C16 C17 178.2(6) . . . . ?
C14 C15 C16 C21 5.2(11) . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C18 C17 C16 C15 -172.9(7) . . . . ?
C18 C17 C16 C21 0.0 . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C16 0.0 . . . . ?
C19 C20 C21 C22 -176.0(6) . . . . ?
C20 C21 C16 C15 173.0(7) . . . . ?
C20 C21 C16 C17 0.0 . . . . ?
C20 C21 C22 C13 -172.5(6) . . . . ?
C20 C21 C22 C23 4.3(9) . . . . ?
C21 C22 C23 C24 57.6(10) . . . . ?
C21 C22 C23 C32 -121.9(8) . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C16 C21 C22 C13 11.6(9) . . . . ?
C16 C21 C22 C23 -171.7(6) . . . . ?
C22 C13 C14 C15 0.8(13) . . . . ?
C22 C21 C16 C15 -11.0(7) . . . . ?
C22 C21 C16 C17 176.0(6) . . . . ?
C22 C23 C24 C25 7.9(10) . . . . ?
C22 C23 C24 C29 -172.8(6) . . . . ?
C22 C23 C32 C2 -13.9(13) . . . . ?
C22 C23 C32 C31 174.1(8) . . . . ?
C23 C24 C29 C28 -179.4(7) . . . . ?
C23 C24 C29 C30 -3.2(8) . . . . ?
C25 C24 C29 C28 0.0 . . . . ?
C25 C24 C29 C30 176.2(7) . . . . ?
C24 C23 C32 C2 166.6(7) . . . . ?
C24 C23 C32 C31 -5.3(12) . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C24 C29 C28 C27 0.0 . . . . ?
C24 C29 C30 C31 -1.6(12) . . . . ?
C29 C28 C27 C26 0.0 . . . . ?
C29 C30 C31 C32 3.0(15) . . . . ?
C28 C29 C30 C31 174.6(7) . . . . ?
C28 C27 C26 C25 0.0 . . . . ?
C26 C25 C24 C23 179.4(7) . . . . ?
C26 C25 C24 C29 0.0 . . . . ?
C30 C29 C28 C27 -176.2(7) . . . . ?
C30 C31 C32 C2 -171.6(8) . . . . ?
C30 C31 C32 C23 0.7(14) . . . . ?
C32 C2 C1 N1 23.7(8) . . . . ?
C32 C2 C1 C6 -160.4(6) . . . . ?
C32 C23 C24 C25 -172.6(7) . . . . ?
C32 C23 C24 C29 6.7(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
