# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_210128_sc0126_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 2167497'
loop_
_audit_author_name
_audit_author_address
'aryl diene'
;Hangzhou Normal U
China
;
_audit_update_record             
;
2022-04-18 deposited with the CCDC.	2022-07-18 downloaded from the CCDC.
;
_audit_creation_date             2021-01-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H21 N O2'
_chemical_formula_sum            'C24 H21 N O2'
_chemical_formula_weight         355.42
_chemical_absolute_configuration ad
_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                   10.726(2)
_cell_length_b                   12.5790(16)
_cell_length_c                   14.755(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1990.9(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9925
_cell_measurement_temperature    170.0
_cell_measurement_theta_max      68.33
_cell_measurement_theta_min      4.13
_shelx_estimated_absorpt_T_max   0.847
_shelx_estimated_absorpt_T_min   0.789
_exptl_absorpt_coefficient_mu    0.593
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6646
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1332 before and 0.0388 after correction.
The Ratio of minimum to maximum transmission is 0.8825.
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    1.186
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.29
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0218
_diffrn_reflns_av_unetI/netI     0.0163
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18353
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.229
_diffrn_reflns_theta_min         4.619
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'zju Bruker D8 Venture Ims3.0'
_diffrn_measurement_method       'φ and ω scans'
_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
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.752
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                3600
_reflns_number_total             3644
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_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  (Sheldrick, 2015)'
_refine_diff_density_max         0.149
_refine_diff_density_min         -0.153
_refine_diff_density_rms         0.050
_refine_ls_abs_structure_details 
;
 Flack x determined using 1535 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.00(5)
_refine_ls_extinction_coef       0.0022(4)
_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   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         3644
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0277
_refine_ls_restrained_S_all      1.070
_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)+(0.0449P)²+0.1716P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0744
_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), C7(H7), C8(H8), C11(H11), C13(H13), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21)
2.b Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C)
;
_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 0.67482(15) 0.03713(11) 0.49073(9) 0.0617(4) Uani 1 1 d . . . . .
O2 O 0.10534(11) 0.22853(10) 0.37636(10) 0.0543(3) Uani 1 1 d . . . . .
N1 N 0.13652(11) 0.05120(12) 0.38080(10) 0.0417(3) Uani 1 1 d . . . . .
C1 C 0.64774(17) 0.15827(14) 0.06676(12) 0.0462(4) Uani 1 1 d . . . . .
H1 H 0.697145 0.111401 0.031276 0.055 Uiso 1 1 calc R U . . .
C2 C 0.5785(2) 0.23478(14) 0.02495(12) 0.0512(5) Uani 1 1 d . . . . .
H2 H 0.577906 0.239177 -0.039318 0.061 Uiso 1 1 calc R U . . .
C3 C 0.50789(19) 0.30718(13) 0.07621(12) 0.0463(4) Uani 1 1 d . . . . .
H3 H 0.460085 0.360280 0.046403 0.056 Uiso 1 1 calc R U . . .
C4 C 0.50765(15) 0.30162(12) 0.16889(11) 0.0370(3) Uani 1 1 d . . . . .
H4 H 0.460984 0.351943 0.202870 0.044 Uiso 1 1 calc R U . . .
C5 C 0.57628(13) 0.22158(12) 0.21481(10) 0.0318(3) Uani 1 1 d . . . . .
C6 C 0.64711(14) 0.14760(12) 0.16263(11) 0.0364(3) Uani 1 1 d . . . . .
C7 C 0.70965(14) 0.06286(13) 0.20708(12) 0.0407(4) Uani 1 1 d . . . . .
H7 H 0.758274 0.014330 0.172667 0.049 Uiso 1 1 calc R U . . .
C8 C 0.70067(14) 0.05048(12) 0.29819(12) 0.0397(4) Uani 1 1 d . . . . .
H8 H 0.740517 -0.008123 0.326654 0.048 Uiso 1 1 calc R U . . .
C9 C 0.63194(14) 0.12463(12) 0.35167(11) 0.0347(3) Uani 1 1 d . . . . .
C10 C 0.57293(13) 0.21000(11) 0.31146(10) 0.0306(3) Uani 1 1 d . . . . .
C11 C 0.62633(17) 0.11113(13) 0.45070(12) 0.0432(4) Uani 1 1 d . . . . .
H11 H 0.582612 0.162835 0.485237 0.052 Uiso 1 1 calc R U . . .
C12 C 0.49752(13) 0.28879(11) 0.36449(10) 0.0319(3) Uani 1 1 d . . . . .
C13 C 0.54086(14) 0.38512(12) 0.38930(10) 0.0339(3) Uani 1 1 d . . . . .
H13 H 0.481837 0.429627 0.418707 0.041 Uiso 1 1 calc R U . . .
C14 C 0.66534(14) 0.43171(11) 0.37781(10) 0.0335(3) Uani 1 1 d . . . . .
C15 C 0.77725(15) 0.37399(13) 0.37922(12) 0.0401(3) Uani 1 1 d . . . . .
H15 H 0.774895 0.299081 0.387197 0.048 Uiso 1 1 calc R U . . .
C16 C 0.89101(16) 0.42452(14) 0.36916(13) 0.0466(4) Uani 1 1 d . . . . .
H16 H 0.965791 0.384105 0.371011 0.056 Uiso 1 1 calc R U . . .
C17 C 0.89678(16) 0.53312(14) 0.35646(11) 0.0455(4) Uani 1 1 d . . . . .
H17 H 0.975102 0.567331 0.349130 0.055 Uiso 1 1 calc R U . . .
C18 C 0.78763(17) 0.59189(13) 0.35446(12) 0.0455(4) Uani 1 1 d . . . . .
H18 H 0.790921 0.666485 0.344691 0.055 Uiso 1 1 calc R U . . .
C19 C 0.67383(15) 0.54219(13) 0.36667(11) 0.0396(4) Uani 1 1 d . . . . .
H19 H 0.599896 0.583755 0.367525 0.048 Uiso 1 1 calc R U . . .
C20 C 0.36682(14) 0.26233(12) 0.38041(10) 0.0348(3) Uani 1 1 d . . . . .
H20 H 0.315187 0.316275 0.405333 0.042 Uiso 1 1 calc R U . . .
C21 C 0.31408(13) 0.16871(12) 0.36284(10) 0.0349(3) Uani 1 1 d . . . . .
H21 H 0.364556 0.111486 0.342374 0.042 Uiso 1 1 calc R U . . .
C22 C 0.17773(14) 0.15192(14) 0.37459(11) 0.0391(3) Uani 1 1 d . . . . .
C23 C 0.00262(16) 0.03039(19) 0.37811(14) 0.0583(5) Uani 1 1 d . . . . .
H23A H -0.042444 0.097638 0.370904 0.087 Uiso 1 1 calc R U . . .
H23B H -0.023171 -0.003914 0.434713 0.087 Uiso 1 1 calc R U . . .
H23C H -0.016380 -0.016500 0.326902 0.087 Uiso 1 1 calc R U . . .
C24 C 0.21793(18) -0.04113(15) 0.38533(14) 0.0506(4) Uani 1 1 d . . . . .
H24A H 0.239497 -0.063981 0.323806 0.076 Uiso 1 1 calc R U . . .
H24B H 0.174972 -0.099059 0.416911 0.076 Uiso 1 1 calc R U . . .
H24C H 0.294159 -0.022549 0.418339 0.076 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 C11 1.219(2) . ?
O2 C22 1.238(2) . ?
N1 C22 1.345(2) . ?
N1 C23 1.460(2) . ?
N1 C24 1.455(2) . ?
C1 H1 0.9500 . ?
C1 C2 1.363(3) . ?
C1 C6 1.421(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.405(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.369(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.419(2) . ?
C5 C6 1.427(2) . ?
C5 C10 1.434(2) . ?
C6 C7 1.420(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.357(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.427(2) . ?
C9 C10 1.381(2) . ?
C9 C11 1.472(2) . ?
C10 C12 1.500(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.349(2) . ?
C12 C20 1.460(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.468(2) . ?
C14 C15 1.403(2) . ?
C14 C19 1.402(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.384(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.380(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.385(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.383(2) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C20 C21 1.332(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.488(2) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 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
C22 N1 C23 119.35(16) . . ?
C22 N1 C24 123.91(14) . . ?
C24 N1 C23 116.65(16) . . ?
C2 C1 H1 119.5 . . ?
C2 C1 C6 120.96(16) . . ?
C6 C1 H1 119.5 . . ?
C1 C2 H2 119.7 . . ?
C1 C2 C3 120.50(16) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.36(17) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.79(15) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C6 118.77(14) . . ?
C4 C5 C10 122.26(13) . . ?
C6 C5 C10 118.93(14) . . ?
C1 C6 C5 118.56(16) . . ?
C7 C6 C1 121.90(15) . . ?
C7 C6 C5 119.46(15) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.68(14) . . ?
C8 C7 H7 119.7 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.64(15) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 C11 119.65(14) . . ?
C10 C9 C8 120.51(15) . . ?
C10 C9 C11 119.83(14) . . ?
C5 C10 C12 117.73(13) . . ?
C9 C10 C5 119.67(13) . . ?
C9 C10 C12 122.49(13) . . ?
O1 C11 C9 123.47(17) . . ?
O1 C11 H11 118.3 . . ?
C9 C11 H11 118.3 . . ?
C13 C12 C10 123.34(13) . . ?
C13 C12 C20 119.49(13) . . ?
C20 C12 C10 116.82(13) . . ?
C12 C13 H13 115.1 . . ?
C12 C13 C14 129.86(13) . . ?
C14 C13 H13 115.1 . . ?
C15 C14 C13 124.75(13) . . ?
C19 C14 C13 117.92(13) . . ?
C19 C14 C15 117.32(15) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 C14 121.01(15) . . ?
C16 C15 H15 119.5 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.57(16) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 120.2 . . ?
C16 C17 C18 119.55(16) . . ?
C18 C17 H17 120.2 . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.13(15) . . ?
C19 C18 H18 119.9 . . ?
C14 C19 H19 119.3 . . ?
C18 C19 C14 121.37(15) . . ?
C18 C19 H19 119.3 . . ?
C12 C20 H20 117.3 . . ?
C21 C20 C12 125.32(13) . . ?
C21 C20 H20 117.3 . . ?
C20 C21 H21 119.3 . . ?
C20 C21 C22 121.36(14) . . ?
C22 C21 H21 119.3 . . ?
O2 C22 N1 121.72(15) . . ?
O2 C22 C21 120.57(16) . . ?
N1 C22 C21 117.70(14) . . ?
N1 C23 H23A 109.5 . . ?
N1 C23 H23B 109.5 . . ?
N1 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 C24 H24A 109.5 . . ?
N1 C24 H24B 109.5 . . ?
N1 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 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
C1 C2 C3 C4 -0.1(3) . . . . ?
C1 C6 C7 C8 -175.56(16) . . . . ?
C2 C1 C6 C5 -2.5(3) . . . . ?
C2 C1 C6 C7 174.34(16) . . . . ?
C2 C3 C4 C5 -1.3(3) . . . . ?
C3 C4 C5 C6 0.8(2) . . . . ?
C3 C4 C5 C10 -176.68(16) . . . . ?
C4 C5 C6 C1 1.1(2) . . . . ?
C4 C5 C6 C7 -175.88(14) . . . . ?
C4 C5 C10 C9 173.83(14) . . . . ?
C4 C5 C10 C12 -2.4(2) . . . . ?
C5 C6 C7 C8 1.3(2) . . . . ?
C5 C10 C12 C13 -83.36(18) . . . . ?
C5 C10 C12 C20 89.81(16) . . . . ?
C6 C1 C2 C3 2.1(3) . . . . ?
C6 C5 C10 C9 -3.7(2) . . . . ?
C6 C5 C10 C12 -179.88(13) . . . . ?
C6 C7 C8 C9 -2.3(2) . . . . ?
C7 C8 C9 C10 0.3(2) . . . . ?
C7 C8 C9 C11 -178.36(15) . . . . ?
C8 C9 C10 C5 2.7(2) . . . . ?
C8 C9 C10 C12 178.74(13) . . . . ?
C8 C9 C11 O1 -2.3(3) . . . . ?
C9 C10 C12 C13 100.54(18) . . . . ?
C9 C10 C12 C20 -86.29(17) . . . . ?
C10 C5 C6 C1 178.65(14) . . . . ?
C10 C5 C6 C7 1.7(2) . . . . ?
C10 C9 C11 O1 179.07(16) . . . . ?
C10 C12 C13 C14 -4.5(2) . . . . ?
C10 C12 C20 C21 9.7(2) . . . . ?
C11 C9 C10 C5 -178.62(14) . . . . ?
C11 C9 C10 C12 -2.6(2) . . . . ?
C12 C13 C14 C15 -32.6(2) . . . . ?
C12 C13 C14 C19 148.92(16) . . . . ?
C12 C20 C21 C22 -175.10(14) . . . . ?
C13 C12 C20 C21 -176.84(15) . . . . ?
C13 C14 C15 C16 -179.03(16) . . . . ?
C13 C14 C19 C18 -179.28(14) . . . . ?
C14 C15 C16 C17 -0.7(3) . . . . ?
C15 C14 C19 C18 2.1(2) . . . . ?
C15 C16 C17 C18 0.5(3) . . . . ?
C16 C17 C18 C19 1.1(3) . . . . ?
C17 C18 C19 C14 -2.4(2) . . . . ?
C19 C14 C15 C16 -0.6(2) . . . . ?
C20 C12 C13 C14 -177.51(14) . . . . ?
C20 C21 C22 O2 20.1(2) . . . . ?
C20 C21 C22 N1 -161.57(15) . . . . ?
C23 N1 C22 O2 7.8(2) . . . . ?
C23 N1 C22 C21 -170.49(15) . . . . ?
C24 N1 C22 O2 -175.61(17) . . . . ?
C24 N1 C22 C21 6.1(2) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.051 0.260 0.208 24 3 ' '
2 0.051 0.760 0.292 24 3 ' '
3 0.449 0.240 0.792 24 3 ' '
4 0.551 0.740 0.708 24 3 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
