# Supplementary Information (SI) 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_230921_zw_3a
_database_code_depnum_ccdc_archive 'CCDC 2358641'
loop_
_audit_author_name
_audit_author_address
zhangwei
;University of South China
China
;
_audit_update_record             
;
2024-05-28 deposited with the CCDC.	2024-07-23 downloaded from the CCDC.
;
_audit_creation_date             2023-09-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H23 N3 O'
_chemical_formula_sum            'C22 H23 N3 O'
_chemical_formula_weight         345.43
_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'
O O 0.0389 0.0241 '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           61
_space_group_name_H-M_alt        'P b c a'
_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'
'-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                   16.1014(9)
_cell_length_b                   10.1767(5)
_cell_length_c                   22.6414(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3710.0(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9988
_cell_measurement_temperature    250.00
_cell_measurement_theta_max      52.633
_cell_measurement_theta_min      4.153
_shelx_estimated_absorpt_T_max   0.977
_shelx_estimated_absorpt_T_min   0.951
_exptl_absorpt_coefficient_mu    0.387
_exptl_absorpt_correction_T_max  0.7519
_exptl_absorpt_correction_T_min  0.5541
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1797 before and 0.1069 after correction.
The Ratio of minimum to maximum transmission is 0.7369.
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    1.237
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0973
_diffrn_reflns_av_unetI/netI     0.0529
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            66491
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         61.024
_diffrn_reflns_theta_min         3.396
_diffrn_ambient_temperature      250.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           3.57
_diffrn_source_power             0.24954300000000001
_diffrn_source_voltage           69.9
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2648
_reflns_number_total             4300
_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 (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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.189
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     239
_refine_ls_number_reflns         4300
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0927
_refine_ls_R_factor_gt           0.0558
_refine_ls_restrained_S_all      1.063
_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)+(0.0837P)²+0.2783P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1390
_refine_ls_wR_factor_ref         0.1615
_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 Ternary CH refined with riding coordinates:
 C10(H10), C13(H13)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C19(H19), C20(H20), C21(H21), C22(H22)
2.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C12(H12A,H12B,H12C), C15(H15A,H15B,H15C), C18(H18A,H18B,H18C)
;
_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 0.25054(8) 0.35684(15) 0.29679(6) 0.0784(4) Uani 1 1 d . . . . .
N1 N 0.37476(9) 0.07850(14) 0.41507(8) 0.0714(5) Uani 1 1 d . . . . .
C1 C 0.37268(14) 0.0511(3) 0.52489(14) 0.0965(8) Uani 1 1 d . . . . .
H1 H 0.389772 -0.037246 0.525230 0.116 Uiso 1 1 calc R U . . .
N2 N 0.33896(8) 0.53097(13) 0.29493(6) 0.0521(4) Uani 1 1 d . . . . .
C2 C 0.35612(16) 0.1183(4) 0.57649(14) 0.1102(10) Uani 1 1 d . . . . .
H2 H 0.361942 0.074385 0.612768 0.132 Uiso 1 1 calc R U . . .
N3 N 0.47454(8) 0.62665(15) 0.31198(7) 0.0641(4) Uani 1 1 d . . . . .
C3 C 0.33125(15) 0.2482(3) 0.57648(10) 0.0988(8) Uani 1 1 d . . . . .
H3 H 0.320747 0.290655 0.612597 0.119 Uiso 1 1 calc R U . . .
C4 C 0.32150(12) 0.3174(2) 0.52393(8) 0.0736(6) Uani 1 1 d . . . . .
H4 H 0.304368 0.405701 0.524200 0.088 Uiso 1 1 calc R U . . .
C5 C 0.33772(10) 0.25270(18) 0.47078(8) 0.0584(5) Uani 1 1 d . . . . .
C6 C 0.36283(10) 0.1204(2) 0.47222(9) 0.0656(5) Uani 1 1 d . . . . .
C7 C 0.35810(10) 0.18155(17) 0.37815(9) 0.0605(5) Uani 1 1 d . . . . .
H7 H 0.361465 0.178040 0.336732 0.073 Uiso 1 1 calc R U . . .
C8 C 0.33580(9) 0.29075(16) 0.40994(7) 0.0520(4) Uani 1 1 d . . . . .
C9 C 0.40412(14) -0.0495(2) 0.39713(14) 0.1033(9) Uani 1 1 d . . . . .
H9A H 0.459835 -0.063237 0.412223 0.155 Uiso 1 1 calc R U . . .
H9B H 0.404815 -0.054704 0.354354 0.155 Uiso 1 1 calc R U . . .
H9C H 0.367439 -0.116665 0.412770 0.155 Uiso 1 1 calc R U . . .
C10 C 0.32447(9) 0.42659(16) 0.38597(7) 0.0495(4) Uani 1 1 d . . . . .
H10 H 0.279170 0.468501 0.408747 0.059 Uiso 1 1 calc R U . . .
C11 C 0.29982(10) 0.43055(17) 0.32120(7) 0.0538(4) Uani 1 1 d . . . . .
C12 C 0.32219(12) 0.5722(2) 0.23504(8) 0.0697(5) Uani 1 1 d . . . . .
H12A H 0.299829 0.660724 0.235309 0.105 Uiso 1 1 calc R U . . .
H12B H 0.282197 0.512964 0.217243 0.105 Uiso 1 1 calc R U . . .
H12C H 0.373305 0.570674 0.212377 0.105 Uiso 1 1 calc R U . . .
C13 C 0.39189(9) 0.60871(16) 0.33408(7) 0.0512(4) Uani 1 1 d . . . . .
H13 H 0.365685 0.693732 0.344282 0.061 Uiso 1 1 calc R U . . .
C14 C 0.40125(9) 0.51899(15) 0.38944(7) 0.0460(4) Uani 1 1 d . . . . .
C15 C 0.40605(11) 0.59693(18) 0.44672(7) 0.0603(5) Uani 1 1 d . . . . .
H15A H 0.416755 0.537537 0.479356 0.090 Uiso 1 1 calc R U . . .
H15B H 0.353825 0.642150 0.453265 0.090 Uiso 1 1 calc R U . . .
H15C H 0.450632 0.660761 0.444050 0.090 Uiso 1 1 calc R U . . .
C16 C 0.48460(9) 0.45519(15) 0.37655(6) 0.0434(4) Uani 1 1 d . . . . .
C17 C 0.52428(9) 0.52475(16) 0.33180(7) 0.0515(4) Uani 1 1 d . . . . .
C18 C 0.50014(15) 0.7264(2) 0.27179(10) 0.0826(6) Uani 1 1 d . . . . .
H18A H 0.551449 0.765632 0.285668 0.124 Uiso 1 1 calc R U . . .
H18B H 0.457433 0.793345 0.269262 0.124 Uiso 1 1 calc R U . . .
H18C H 0.508986 0.688020 0.233078 0.124 Uiso 1 1 calc R U . . .
C19 C 0.60389(10) 0.49195(19) 0.31325(8) 0.0628(5) Uani 1 1 d . . . . .
H19 H 0.629779 0.537456 0.282170 0.075 Uiso 1 1 calc R U . . .
C20 C 0.64372(10) 0.3901(2) 0.34209(8) 0.0652(5) Uani 1 1 d . . . . .
H20 H 0.697764 0.366474 0.330498 0.078 Uiso 1 1 calc R U . . .
C21 C 0.60609(10) 0.32265(19) 0.38725(8) 0.0603(5) Uani 1 1 d . . . . .
H21 H 0.634652 0.254213 0.406354 0.072 Uiso 1 1 calc R U . . .
C22 C 0.52601(9) 0.35496(16) 0.40491(7) 0.0496(4) Uani 1 1 d . . . . .
H22 H 0.500339 0.308868 0.435910 0.059 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 1.2238(19) . ?
N1 C6 1.376(3) . ?
N1 C7 1.368(2) . ?
N1 C9 1.444(3) . ?
C1 H1 0.9400 . ?
C1 C2 1.380(4) . ?
C1 C6 1.395(3) . ?
N2 C11 1.340(2) . ?
N2 C12 1.445(2) . ?
N2 C13 1.462(2) . ?
C2 H2 0.9400 . ?
C2 C3 1.381(4) . ?
N3 C13 1.433(2) . ?
N3 C17 1.385(2) . ?
N3 C18 1.424(2) . ?
C3 H3 0.9400 . ?
C3 C4 1.391(3) . ?
C4 H4 0.9400 . ?
C4 C5 1.396(3) . ?
C5 C6 1.406(3) . ?
C5 C8 1.431(2) . ?
C7 H7 0.9400 . ?
C7 C8 1.372(2) . ?
C8 C10 1.496(2) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C10 H10 0.9900 . ?
C10 C11 1.520(2) . ?
C10 C14 1.555(2) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
C13 H13 0.9900 . ?
C13 C14 1.558(2) . ?
C14 C15 1.522(2) . ?
C14 C16 1.519(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C16 C17 1.391(2) . ?
C16 C22 1.377(2) . ?
C17 C19 1.389(2) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 H18C 0.9700 . ?
C19 H19 0.9400 . ?
C19 C20 1.383(3) . ?
C20 H20 0.9400 . ?
C20 C21 1.373(3) . ?
C21 H21 0.9400 . ?
C21 C22 1.389(2) . ?
C22 H22 0.9400 . ?

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
C6 N1 C9 126.15(19) . . ?
C7 N1 C6 108.03(16) . . ?
C7 N1 C9 125.7(2) . . ?
C2 C1 H1 121.6 . . ?
C2 C1 C6 116.8(3) . . ?
C6 C1 H1 121.6 . . ?
C11 N2 C12 123.39(14) . . ?
C11 N2 C13 114.69(13) . . ?
C12 N2 C13 121.37(14) . . ?
C1 C2 H2 119.0 . . ?
C1 C2 C3 122.0(2) . . ?
C3 C2 H2 119.0 . . ?
C17 N3 C13 109.17(13) . . ?
C17 N3 C18 124.97(15) . . ?
C18 N3 C13 125.64(15) . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.1(3) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 H4 120.7 . . ?
C3 C4 C5 118.5(2) . . ?
C5 C4 H4 120.7 . . ?
C4 C5 C6 119.03(18) . . ?
C4 C5 C8 134.25(18) . . ?
C6 C5 C8 106.71(16) . . ?
N1 C6 C1 129.1(2) . . ?
N1 C6 C5 108.38(16) . . ?
C1 C6 C5 122.5(2) . . ?
N1 C7 H7 124.7 . . ?
N1 C7 C8 110.60(18) . . ?
C8 C7 H7 124.7 . . ?
C5 C8 C10 126.99(15) . . ?
C7 C8 C5 106.27(16) . . ?
C7 C8 C10 126.15(16) . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10 107.4 . . ?
C8 C10 C11 113.98(14) . . ?
C8 C10 C14 116.32(13) . . ?
C11 C10 H10 107.4 . . ?
C11 C10 C14 103.90(13) . . ?
C14 C10 H10 107.4 . . ?
O1 C11 N2 124.89(16) . . ?
O1 C11 C10 126.07(16) . . ?
N2 C11 C10 109.01(13) . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 H13 111.5 . . ?
N2 C13 C14 103.12(13) . . ?
N3 C13 N2 113.48(14) . . ?
N3 C13 H13 111.5 . . ?
N3 C13 C14 105.41(12) . . ?
C14 C13 H13 111.5 . . ?
C10 C14 C13 103.70(11) . . ?
C15 C14 C10 113.48(13) . . ?
C15 C14 C13 112.64(13) . . ?
C16 C14 C10 115.73(12) . . ?
C16 C14 C13 100.45(12) . . ?
C16 C14 C15 109.97(12) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C14 109.16(13) . . ?
C22 C16 C14 130.89(14) . . ?
C22 C16 C17 119.59(14) . . ?
N3 C17 C16 110.56(14) . . ?
N3 C17 C19 127.98(16) . . ?
C19 C17 C16 121.43(16) . . ?
N3 C18 H18A 109.5 . . ?
N3 C18 H18B 109.5 . . ?
N3 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19 121.1 . . ?
C20 C19 C17 117.73(16) . . ?
C20 C19 H19 121.1 . . ?
C19 C20 H20 119.3 . . ?
C21 C20 C19 121.45(16) . . ?
C21 C20 H20 119.3 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.38(16) . . ?
C22 C21 H21 119.8 . . ?
C16 C22 C21 119.37(16) . . ?
C16 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?

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
N1 C7 C8 C5 -0.73(18) . . . . ?
N1 C7 C8 C10 171.00(15) . . . . ?
C1 C2 C3 C4 0.2(4) . . . . ?
N2 C13 C14 C10 -22.39(15) . . . . ?
N2 C13 C14 C15 -145.48(13) . . . . ?
N2 C13 C14 C16 97.57(13) . . . . ?
C2 C1 C6 N1 -179.9(2) . . . . ?
C2 C1 C6 C5 0.3(3) . . . . ?
C2 C3 C4 C5 -0.2(3) . . . . ?
N3 C13 C14 C10 -141.64(13) . . . . ?
N3 C13 C14 C15 95.27(16) . . . . ?
N3 C13 C14 C16 -21.68(15) . . . . ?
N3 C17 C19 C20 176.19(17) . . . . ?
C3 C4 C5 C6 0.3(3) . . . . ?
C3 C4 C5 C8 -178.94(18) . . . . ?
C4 C5 C6 N1 179.83(15) . . . . ?
C4 C5 C6 C1 -0.4(3) . . . . ?
C4 C5 C8 C7 -179.81(18) . . . . ?
C4 C5 C8 C10 8.6(3) . . . . ?
C5 C8 C10 C11 -162.76(15) . . . . ?
C5 C8 C10 C14 76.3(2) . . . . ?
C6 N1 C7 C8 0.29(19) . . . . ?
C6 C1 C2 C3 -0.2(4) . . . . ?
C6 C5 C8 C7 0.88(17) . . . . ?
C6 C5 C8 C10 -170.75(15) . . . . ?
C7 N1 C6 C1 -179.49(18) . . . . ?
C7 N1 C6 C5 0.29(19) . . . . ?
C7 C8 C10 C11 27.2(2) . . . . ?
C7 C8 C10 C14 -93.70(19) . . . . ?
C8 C5 C6 N1 -0.73(18) . . . . ?
C8 C5 C6 C1 179.07(16) . . . . ?
C8 C10 C11 O1 40.4(2) . . . . ?
C8 C10 C11 N2 -141.49(14) . . . . ?
C8 C10 C14 C13 148.20(14) . . . . ?
C8 C10 C14 C15 -89.27(17) . . . . ?
C8 C10 C14 C16 39.25(19) . . . . ?
C9 N1 C6 C1 -2.6(3) . . . . ?
C9 N1 C6 C5 177.18(17) . . . . ?
C9 N1 C7 C8 -176.61(17) . . . . ?
C10 C14 C16 C17 125.44(14) . . . . ?
C10 C14 C16 C22 -61.6(2) . . . . ?
C11 N2 C13 N3 128.81(15) . . . . ?
C11 N2 C13 C14 15.31(17) . . . . ?
C11 C10 C14 C13 22.07(15) . . . . ?
C11 C10 C14 C15 144.61(14) . . . . ?
C11 C10 C14 C16 -86.88(15) . . . . ?
C12 N2 C11 O1 5.6(3) . . . . ?
C12 N2 C11 C10 -172.56(16) . . . . ?
C12 N2 C13 N3 -59.4(2) . . . . ?
C12 N2 C13 C14 -172.89(15) . . . . ?
C13 N2 C11 O1 177.21(17) . . . . ?
C13 N2 C11 C10 -0.96(19) . . . . ?
C13 N3 C17 C16 -13.27(19) . . . . ?
C13 N3 C17 C19 168.38(17) . . . . ?
C13 C14 C16 C17 14.57(15) . . . . ?
C13 C14 C16 C22 -172.50(15) . . . . ?
C14 C10 C11 O1 167.95(17) . . . . ?
C14 C10 C11 N2 -13.91(17) . . . . ?
C14 C16 C17 N3 -1.95(18) . . . . ?
C14 C16 C17 C19 176.53(15) . . . . ?
C14 C16 C22 C21 -174.01(15) . . . . ?
C15 C14 C16 C17 -104.34(15) . . . . ?
C15 C14 C16 C22 68.6(2) . . . . ?
C16 C17 C19 C20 -2.0(3) . . . . ?
C17 N3 C13 N2 -89.84(17) . . . . ?
C17 N3 C13 C14 22.27(18) . . . . ?
C17 C16 C22 C21 -1.7(2) . . . . ?
C17 C19 C20 C21 0.4(3) . . . . ?
C18 N3 C13 N2 85.0(2) . . . . ?
C18 N3 C13 C14 -162.90(17) . . . . ?
C18 N3 C17 C16 171.86(17) . . . . ?
C18 N3 C17 C19 -6.5(3) . . . . ?
C19 C20 C21 C22 0.5(3) . . . . ?
C20 C21 C22 C16 0.2(3) . . . . ?
C22 C16 C17 N3 -175.80(14) . . . . ?
C22 C16 C17 C19 2.7(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
