# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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
_database_code_depnum_ccdc_archive 'CCDC 2071594'
loop_
_audit_author_name
_audit_author_address
'tang jiaxu' 'Xian Jiaotong University'
_audit_update_record             
;
2021-03-19 deposited with the CCDC.	2021-05-17 downloaded from the CCDC.
;
_audit_creation_date             2021-03-19
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H21 N O2'
_chemical_formula_sum            'C23 H21 N O2'
_chemical_formula_weight         343.41
_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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.796(2)
_cell_length_b                   12.945(2)
_cell_length_c                   12.662(2)
_cell_angle_alpha                90
_cell_angle_beta                 108.737(2)
_cell_angle_gamma                90
_cell_volume                     1831.0(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6357
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      26.58
_cell_measurement_theta_min      2.32
_shelx_estimated_absorpt_T_max   0.984
_shelx_estimated_absorpt_T_min   0.980
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0938 before and 0.0507 after correction.
The Ratio of minimum to maximum transmission is 0.7833.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     ?
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             728
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19094
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.610
_diffrn_reflns_theta_min         2.054
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           25.0
_diffrn_source_power             1.125
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3054
_reflns_number_total             3809
_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 v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.258
_refine_diff_density_min         -0.192
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         3809
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0375
_refine_ls_restrained_S_all      1.031
_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)+(0.0377P)²+0.7280P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.0957
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C17(H17A,H17B), C16(H16A,H16B)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C20(H20), C5(H5), C7(H7), C23(H23), C1(H1A), C3(H3), C2(H2A), C6(H6),
 C22(H22), C21(H21)
2.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C)
2.d Idealised tetrahedral OH refined as rotating group:
 O2(H2)
;
_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
O2 O 0.90275(8) 0.27936(7) 0.85503(7) 0.0250(2) Uani 1 1 d . . . . .
H2 H 0.8703 0.2237 0.8338 0.038 Uiso 1 1 calc R U . . .
O1 O 0.67778(9) 0.58633(8) 0.71795(9) 0.0330(3) Uani 1 1 d . . . . .
N1 N 0.64491(10) 0.25846(9) 0.50649(9) 0.0236(2) Uani 1 1 d . . . . .
H1 H 0.5752 0.2501 0.4581 0.028 Uiso 1 1 calc R U . . .
C18 C 0.84495(12) 0.25209(10) 0.59350(11) 0.0221(3) Uani 1 1 d . . . . .
C9 C 0.66872(11) 0.31026(10) 0.60656(10) 0.0212(3) Uani 1 1 d . . . . .
C11 C 0.84901(11) 0.35761(10) 0.77408(10) 0.0206(3) Uani 1 1 d . . . . .
C19 C 0.75091(12) 0.22236(10) 0.49675(11) 0.0222(3) Uani 1 1 d . . . . .
C10 C 0.79017(11) 0.30939(10) 0.66174(10) 0.0205(3) Uani 1 1 d . . . . .
C8 C 0.57890(11) 0.35796(10) 0.64796(11) 0.0225(3) Uani 1 1 d . . . . .
C12 C 0.75558(11) 0.42416(10) 0.80728(10) 0.0211(3) Uani 1 1 d . . . . .
C13 C 0.62854(11) 0.37904(11) 0.77178(10) 0.0225(3) Uani 1 1 d . . . . .
H13A H 0.6294 0.3151 0.8120 0.027 Uiso 1 1 calc R U . . .
H13B H 0.5760 0.4270 0.7923 0.027 Uiso 1 1 calc R U . . .
C15 C 0.75991(12) 0.52527(10) 0.74712(11) 0.0246(3) Uani 1 1 d . . . . .
C17 C 0.94708(12) 0.43621(10) 0.77294(12) 0.0255(3) Uani 1 1 d . . . . .
H17A H 1.0026 0.4465 0.8475 0.031 Uiso 1 1 calc R U . . .
H17B H 0.9913 0.4127 0.7248 0.031 Uiso 1 1 calc R U . . .
C4 C 0.36733(12) 0.42824(11) 0.60830(11) 0.0268(3) Uani 1 1 d . . . . .
C20 C 0.77165(13) 0.16491(11) 0.41129(11) 0.0278(3) Uani 1 1 d . . . . .
H20 H 0.7093 0.1474 0.3473 0.033 Uiso 1 1 calc R U . . .
C5 C 0.38083(12) 0.52190(11) 0.66553(12) 0.0291(3) Uani 1 1 d . . . . .
H5 H 0.4561 0.5523 0.6925 0.035 Uiso 1 1 calc R U . . .
C7 C 0.46722(12) 0.37715(12) 0.58165(11) 0.0286(3) Uani 1 1 d . . . . .
H7 H 0.4498 0.3552 0.5082 0.034 Uiso 1 1 calc R U . . .
C23 C 0.96179(12) 0.21955(11) 0.60546(12) 0.0283(3) Uani 1 1 d . . . . .
H23 H 1.0248 0.2368 0.6690 0.034 Uiso 1 1 calc R U . . .
C14 C 0.79817(13) 0.44770(12) 0.93333(11) 0.0295(3) Uani 1 1 d . . . . .
H14A H 0.8049 0.3843 0.9743 0.044 Uiso 1 1 calc R U . . .
H14B H 0.7413 0.4922 0.9504 0.044 Uiso 1 1 calc R U . . .
H14C H 0.8748 0.4812 0.9537 0.044 Uiso 1 1 calc R U . . .
C1 C 0.17042(13) 0.52686(13) 0.64231(13) 0.0349(4) Uani 1 1 d . . . . .
H1A H 0.1052 0.5600 0.6534 0.042 Uiso 1 1 calc R U . . .
C3 C 0.25252(13) 0.38560(13) 0.56816(12) 0.0333(3) Uani 1 1 d . . . . .
H3 H 0.2413 0.3235 0.5292 0.040 Uiso 1 1 calc R U . . .
C16 C 0.87909(13) 0.53626(12) 0.72799(14) 0.0333(3) Uani 1 1 d . . . . .
H16A H 0.9223 0.5957 0.7677 0.040 Uiso 1 1 calc R U . . .
H16B H 0.8682 0.5443 0.6492 0.040 Uiso 1 1 calc R U . . .
C2 C 0.15502(13) 0.43402(13) 0.58526(13) 0.0364(4) Uani 1 1 d . . . . .
H2A H 0.0794 0.4042 0.5585 0.044 Uiso 1 1 calc R U . . .
C6 C 0.28322(13) 0.57007(12) 0.68269(13) 0.0324(3) Uani 1 1 d . . . . .
H6 H 0.2938 0.6321 0.7218 0.039 Uiso 1 1 calc R U . . .
C22 C 0.98219(14) 0.16153(13) 0.52168(13) 0.0356(4) Uani 1 1 d . . . . .
H22 H 1.0595 0.1396 0.5293 0.043 Uiso 1 1 calc R U . . .
C21 C 0.88787(14) 0.13518(12) 0.42519(13) 0.0341(4) Uani 1 1 d . . . . .
H21 H 0.9041 0.0969 0.3696 0.041 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
O2 H2 0.8200 . ?
O2 C11 1.4356(15) . ?
O1 C15 1.2124(16) . ?
N1 H1 0.8600 . ?
N1 C9 1.3804(17) . ?
N1 C19 1.3770(17) . ?
C18 C19 1.4164(18) . ?
C18 C10 1.4398(18) . ?
C18 C23 1.4020(19) . ?
C9 C10 1.3776(18) . ?
C9 C8 1.4613(18) . ?
C11 C10 1.5035(17) . ?
C11 C12 1.5592(18) . ?
C11 C17 1.5442(18) . ?
C19 C20 1.3979(19) . ?
C8 C13 1.5119(18) . ?
C8 C7 1.3385(19) . ?
C12 C13 1.5350(18) . ?
C12 C15 1.5236(18) . ?
C12 C14 1.5419(18) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C15 C16 1.508(2) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C16 1.533(2) . ?
C4 C5 1.395(2) . ?
C4 C7 1.4816(19) . ?
C4 C3 1.398(2) . ?
C20 H20 0.9300 . ?
C20 C21 1.380(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.387(2) . ?
C7 H7 0.9300 . ?
C23 H23 0.9300 . ?
C23 C22 1.383(2) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C1 H1A 0.9300 . ?
C1 C2 1.384(2) . ?
C1 C6 1.381(2) . ?
C3 H3 0.9300 . ?
C3 C2 1.387(2) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C2 H2A 0.9300 . ?
C6 H6 0.9300 . ?
C22 H22 0.9300 . ?
C22 C21 1.405(2) . ?
C21 H21 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
C11 O2 H2 109.5 . . ?
C9 N1 H1 125.5 . . ?
C19 N1 H1 125.5 . . ?
C19 N1 C9 108.92(10) . . ?
C19 C18 C10 106.34(11) . . ?
C23 C18 C19 118.77(12) . . ?
C23 C18 C10 134.83(12) . . ?
N1 C9 C8 125.27(11) . . ?
C10 C9 N1 109.47(11) . . ?
C10 C9 C8 125.26(12) . . ?
O2 C11 C10 110.26(10) . . ?
O2 C11 C12 112.68(10) . . ?
O2 C11 C17 108.14(10) . . ?
C10 C11 C12 109.45(10) . . ?
C10 C11 C17 112.59(11) . . ?
C17 C11 C12 103.59(10) . . ?
N1 C19 C18 108.16(11) . . ?
N1 C19 C20 129.76(12) . . ?
C20 C19 C18 122.07(13) . . ?
C18 C10 C11 128.46(11) . . ?
C9 C10 C18 107.10(11) . . ?
C9 C10 C11 124.42(12) . . ?
C9 C8 C13 111.37(11) . . ?
C7 C8 C9 122.30(12) . . ?
C7 C8 C13 126.32(12) . . ?
C13 C12 C11 114.77(11) . . ?
C13 C12 C14 109.95(11) . . ?
C15 C12 C11 101.52(10) . . ?
C15 C12 C13 111.52(11) . . ?
C15 C12 C14 107.19(11) . . ?
C14 C12 C11 111.40(10) . . ?
C8 C13 C12 112.88(11) . . ?
C8 C13 H13A 109.0 . . ?
C8 C13 H13B 109.0 . . ?
C12 C13 H13A 109.0 . . ?
C12 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
O1 C15 C12 124.10(13) . . ?
O1 C15 C16 125.77(13) . . ?
C16 C15 C12 110.12(11) . . ?
C11 C17 H17A 110.8 . . ?
C11 C17 H17B 110.8 . . ?
H17A C17 H17B 108.9 . . ?
C16 C17 C11 104.83(11) . . ?
C16 C17 H17A 110.8 . . ?
C16 C17 H17B 110.8 . . ?
C5 C4 C7 122.68(13) . . ?
C5 C4 C3 117.87(13) . . ?
C3 C4 C7 119.29(13) . . ?
C19 C20 H20 121.2 . . ?
C21 C20 C19 117.61(13) . . ?
C21 C20 H20 121.2 . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.68(14) . . ?
C6 C5 H5 119.7 . . ?
C8 C7 C4 129.38(13) . . ?
C8 C7 H7 115.3 . . ?
C4 C7 H7 115.3 . . ?
C18 C23 H23 120.4 . . ?
C22 C23 C18 119.19(13) . . ?
C22 C23 H23 120.4 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C2 C1 H1A 120.2 . . ?
C6 C1 H1A 120.2 . . ?
C6 C1 C2 119.63(14) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 C4 121.32(15) . . ?
C2 C3 H3 119.3 . . ?
C15 C16 C17 105.32(12) . . ?
C15 C16 H16A 110.7 . . ?
C15 C16 H16B 110.7 . . ?
C17 C16 H16A 110.7 . . ?
C17 C16 H16B 110.7 . . ?
H16A C16 H16B 108.8 . . ?
C1 C2 C3 119.85(14) . . ?
C1 C2 H2A 120.1 . . ?
C3 C2 H2A 120.1 . . ?
C5 C6 H6 119.7 . . ?
C1 C6 C5 120.63(15) . . ?
C1 C6 H6 119.7 . . ?
C23 C22 H22 119.5 . . ?
C23 C22 C21 120.98(14) . . ?
C21 C22 H22 119.5 . . ?
C20 C21 C22 121.35(13) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?

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
O2 C11 C10 C18 -63.23(17) . . . . ?
O2 C11 C10 C9 114.50(14) . . . . ?
O2 C11 C12 C13 -86.22(13) . . . . ?
O2 C11 C12 C15 153.36(10) . . . . ?
O2 C11 C12 C14 39.54(15) . . . . ?
O2 C11 C17 C16 -156.06(11) . . . . ?
O1 C15 C16 C17 -176.18(13) . . . . ?
N1 C9 C10 C18 -1.23(15) . . . . ?
N1 C9 C10 C11 -179.37(12) . . . . ?
N1 C9 C8 C13 162.72(12) . . . . ?
N1 C9 C8 C7 -16.1(2) . . . . ?
N1 C19 C20 C21 -177.44(14) . . . . ?
C18 C19 C20 C21 1.6(2) . . . . ?
C18 C23 C22 C21 0.2(2) . . . . ?
C9 N1 C19 C18 0.00(15) . . . . ?
C9 N1 C19 C20 179.16(14) . . . . ?
C9 C8 C13 C12 42.95(15) . . . . ?
C9 C8 C7 C4 -177.27(14) . . . . ?
C11 C12 C13 C8 -55.78(15) . . . . ?
C11 C12 C15 O1 154.27(13) . . . . ?
C11 C12 C15 C16 -24.67(14) . . . . ?
C11 C17 C16 C15 20.88(14) . . . . ?
C19 N1 C9 C10 0.79(15) . . . . ?
C19 N1 C9 C8 -178.78(12) . . . . ?
C19 C18 C10 C9 1.20(15) . . . . ?
C19 C18 C10 C11 179.24(12) . . . . ?
C19 C18 C23 C22 1.4(2) . . . . ?
C19 C20 C21 C22 0.0(2) . . . . ?
C10 C18 C19 N1 -0.74(15) . . . . ?
C10 C18 C19 C20 -179.98(12) . . . . ?
C10 C18 C23 C22 178.19(15) . . . . ?
C10 C9 C8 C13 -16.77(19) . . . . ?
C10 C9 C8 C7 164.43(14) . . . . ?
C10 C11 C12 C13 36.86(14) . . . . ?
C10 C11 C12 C15 -83.57(12) . . . . ?
C10 C11 C12 C14 162.61(11) . . . . ?
C10 C11 C17 C16 81.87(14) . . . . ?
C8 C9 C10 C18 178.33(12) . . . . ?
C8 C9 C10 C11 0.2(2) . . . . ?
C12 C11 C10 C18 172.27(12) . . . . ?
C12 C11 C10 C9 -10.00(17) . . . . ?
C12 C11 C17 C16 -36.28(13) . . . . ?
C12 C15 C16 C17 2.73(15) . . . . ?
C13 C8 C7 C4 4.1(3) . . . . ?
C13 C12 C15 O1 31.58(18) . . . . ?
C13 C12 C15 C16 -147.35(12) . . . . ?
C15 C12 C13 C8 58.95(14) . . . . ?
C17 C11 C10 C18 57.63(18) . . . . ?
C17 C11 C10 C9 -124.64(14) . . . . ?
C17 C11 C12 C13 157.16(11) . . . . ?
C17 C11 C12 C15 36.74(12) . . . . ?
C17 C11 C12 C14 -77.09(13) . . . . ?
C4 C5 C6 C1 -0.8(2) . . . . ?
C4 C3 C2 C1 0.5(2) . . . . ?
C5 C4 C7 C8 48.4(2) . . . . ?
C5 C4 C3 C2 -0.6(2) . . . . ?
C7 C8 C13 C12 -138.32(14) . . . . ?
C7 C4 C5 C6 176.02(13) . . . . ?
C7 C4 C3 C2 -176.08(14) . . . . ?
C23 C18 C19 N1 176.88(12) . . . . ?
C23 C18 C19 C20 -2.4(2) . . . . ?
C23 C18 C10 C9 -175.86(15) . . . . ?
C23 C18 C10 C11 2.2(3) . . . . ?
C23 C22 C21 C20 -0.9(2) . . . . ?
C14 C12 C13 C8 177.71(11) . . . . ?
C14 C12 C15 O1 -88.81(16) . . . . ?
C14 C12 C15 C16 92.26(13) . . . . ?
C3 C4 C5 C6 0.7(2) . . . . ?
C3 C4 C7 C8 -136.33(17) . . . . ?
C2 C1 C6 C5 0.7(2) . . . . ?
C6 C1 C2 C3 -0.6(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
