# 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 
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data_20210401a_0m
_database_code_depnum_ccdc_archive 'CCDC 2097639'
loop_
_audit_author_name
_audit_author_address
'Hongji Li'
;Huaibei Normal University
China
;
_audit_update_record             
;
2021-12-08 deposited with the CCDC.	2022-06-06 downloaded from the CCDC.
;
_audit_creation_date             2021-04-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H31 N3'
_chemical_formula_sum            'C26 H31 N3'
_chemical_formula_weight         385.54
_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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.312(5)
_cell_length_b                   11.807(6)
_cell_length_c                   11.826(4)
_cell_angle_alpha                71.649(17)
_cell_angle_beta                 82.681(19)
_cell_angle_gamma                82.856(13)
_cell_volume                     1088.2(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9989
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.398
_cell_measurement_theta_min      2.945
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7154
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0666 before and 0.0540 after correction.
The Ratio of minimum to maximum transmission is 0.9595.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.177
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             416
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_unetI/netI     0.0158
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            61177
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.849
_diffrn_reflns_theta_min         2.480
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3787
_reflns_number_total             5068
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.155
_refine_diff_density_min         -0.231
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         5068
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0667
_refine_ls_R_factor_gt           0.0459
_refine_ls_restrained_S_all      1.045
_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)+(0.0580P)²+0.2180P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1136
_refine_ls_wR_factor_ref         0.1318
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C15(H15), C24(H24)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C13(H13),
 C14(H14), C19(H19), C20(H20), C22(H22), C23(H23)
2.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C25(H25A,H25B,H25C), C26(H26A,H26B,
 H26C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.7499(2) 0.86732(12) 0.13268(12) 0.0756(5) Uani 1 1 d . . . . .
N2 N 0.77614(14) 0.67365(10) 0.25194(9) 0.0454(3) Uani 1 1 d . . . . .
N3 N 0.72387(14) 0.74803(9) 0.32631(10) 0.0454(3) Uani 1 1 d . . . . .
C1 C 0.74986(18) 0.96693(13) 0.03302(13) 0.0510(3) Uani 1 1 d . . . . .
C2 C 0.84464(19) 0.96512(14) -0.07202(13) 0.0578(4) Uani 1 1 d . . . . .
H2 H 0.9094 0.8960 -0.0756 0.069 Uiso 1 1 calc R . . . .
C3 C 0.8431(2) 1.06553(16) -0.17123(15) 0.0672(4) Uani 1 1 d . . . . .
H3 H 0.9067 1.0629 -0.2412 0.081 Uiso 1 1 calc R . . . .
C4 C 0.7500(2) 1.16874(16) -0.16868(16) 0.0700(5) Uani 1 1 d . . . . .
H4 H 0.7499 1.2360 -0.2359 0.084 Uiso 1 1 calc R . . . .
C5 C 0.6572(2) 1.17113(15) -0.06559(16) 0.0672(4) Uani 1 1 d . . . . .
H5 H 0.5938 1.2410 -0.0628 0.081 Uiso 1 1 calc R . . . .
C6 C 0.65546(19) 1.07199(14) 0.03478(14) 0.0579(4) Uani 1 1 d . . . . .
H6 H 0.5907 1.0756 0.1039 0.070 Uiso 1 1 calc R . . . .
C7 C 0.66203(18) 0.86268(12) 0.24540(12) 0.0490(3) Uani 1 1 d . . . . .
H7A H 0.5458 0.8650 0.2412 0.059 Uiso 1 1 calc R . . . .
H7B H 0.6831 0.9290 0.2716 0.059 Uiso 1 1 calc R . . . .
C8 C 0.83800(18) 0.75465(12) 0.13727(12) 0.0492(3) Uani 1 1 d . . . . .
H8A H 0.9542 0.7594 0.1347 0.059 Uiso 1 1 calc R . . . .
H8B H 0.8171 0.7282 0.0712 0.059 Uiso 1 1 calc R . . . .
C9 C 0.65572(16) 0.60025(10) 0.24996(10) 0.0401(3) Uani 1 1 d . . . . .
C10 C 0.52702(18) 0.57615(12) 0.33768(11) 0.0477(3) Uani 1 1 d . . . . .
H10 H 0.5176 0.6097 0.3999 0.057 Uiso 1 1 calc R . . . .
C11 C 0.41315(18) 0.50320(12) 0.33374(12) 0.0496(3) Uani 1 1 d . . . . .
H11 H 0.3278 0.4879 0.3939 0.059 Uiso 1 1 calc R . . . .
C12 C 0.42158(16) 0.45213(11) 0.24350(11) 0.0434(3) Uani 1 1 d . . . . .
C13 C 0.55502(16) 0.47266(11) 0.15959(11) 0.0447(3) Uani 1 1 d . . . . .
H13 H 0.5662 0.4369 0.0990 0.054 Uiso 1 1 calc R . . . .
C14 C 0.67147(16) 0.54399(11) 0.16273(11) 0.0440(3) Uani 1 1 d . . . . .
H14 H 0.7611 0.5544 0.1060 0.053 Uiso 1 1 calc R . . . .
C15 C 0.28536(18) 0.38300(13) 0.23743(13) 0.0527(3) Uani 1 1 d . . . . .
H15 H 0.2364 0.3492 0.3194 0.063 Uiso 1 1 calc R . . . .
C16 C 0.1545(2) 0.46740(17) 0.16652(18) 0.0739(5) Uani 1 1 d . . . . .
H16A H 0.1158 0.5286 0.2034 0.111 Uiso 1 1 calc GR . . . .
H16B H 0.0657 0.4231 0.1654 0.111 Uiso 1 1 calc GR . . . .
H16C H 0.1995 0.5037 0.0860 0.111 Uiso 1 1 calc GR . . . .
C17 C 0.3399(2) 0.28031(15) 0.18761(18) 0.0709(5) Uani 1 1 d . . . . .
H17A H 0.3817 0.3110 0.1053 0.106 Uiso 1 1 calc GR . . . .
H17B H 0.2490 0.2354 0.1930 0.106 Uiso 1 1 calc GR . . . .
H17C H 0.4237 0.2291 0.2327 0.106 Uiso 1 1 calc GR . . . .
C18 C 0.84446(16) 0.75009(10) 0.39976(10) 0.0403(3) Uani 1 1 d . . . . .
C19 C 0.82846(16) 0.83729(11) 0.45595(11) 0.0440(3) Uani 1 1 d . . . . .
H19 H 0.7389 0.8940 0.4456 0.053 Uiso 1 1 calc R . . . .
C20 C 0.94500(17) 0.84049(11) 0.52742(11) 0.0449(3) Uani 1 1 d . . . . .
H20 H 0.9338 0.9011 0.5632 0.054 Uiso 1 1 calc R . . . .
C21 C 1.07841(16) 0.75645(11) 0.54786(11) 0.0434(3) Uani 1 1 d . . . . .
C22 C 1.08663(18) 0.66622(12) 0.49689(12) 0.0497(3) Uani 1 1 d . . . . .
H22 H 1.1716 0.6059 0.5123 0.060 Uiso 1 1 calc R . . . .
C23 C 0.97308(18) 0.66227(11) 0.42381(12) 0.0478(3) Uani 1 1 d . . . . .
H23 H 0.9827 0.6001 0.3902 0.057 Uiso 1 1 calc R . . . .
C24 C 1.21466(18) 0.76253(13) 0.61696(13) 0.0527(3) Uani 1 1 d . . . . .
H24 H 1.2632 0.6805 0.6507 0.063 Uiso 1 1 calc R . . . .
C25 C 1.3454(2) 0.83342(18) 0.53262(17) 0.0743(5) Uani 1 1 d . . . . .
H25A H 1.4345 0.8343 0.5765 0.111 Uiso 1 1 calc GR . . . .
H25B H 1.3009 0.9141 0.4968 0.111 Uiso 1 1 calc GR . . . .
H25C H 1.3835 0.7968 0.4711 0.111 Uiso 1 1 calc GR . . . .
C26 C 1.1600(2) 0.81251(18) 0.71965(15) 0.0710(5) Uani 1 1 d . . . . .
H26A H 1.1186 0.8948 0.6890 0.107 Uiso 1 1 calc GR . . . .
H26B H 1.2508 0.8072 0.7644 0.107 Uiso 1 1 calc GR . . . .
H26C H 1.0760 0.7673 0.7709 0.107 Uiso 1 1 calc GR . . . .


_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 1.3782(19) . ?
N1 C7 1.4245(19) . ?
N1 C8 1.425(2) . ?
N2 N3 1.4239(15) . ?
N2 C8 1.4649(17) . ?
N2 C9 1.4100(17) . ?
N3 C7 1.4660(18) . ?
N3 C18 1.4146(17) . ?
C1 C2 1.388(2) . ?
C1 C6 1.387(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.381(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.367(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.363(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.380(2) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.3815(19) . ?
C9 C14 1.3776(17) . ?
C10 H10 0.9300 . ?
C10 C11 1.371(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.3722(18) . ?
C12 C13 1.3815(19) . ?
C12 C15 1.4971(19) . ?
C13 H13 0.9300 . ?
C13 C14 1.3709(19) . ?
C14 H14 0.9300 . ?
C15 H15 0.9800 . ?
C15 C16 1.522(2) . ?
C15 C17 1.506(2) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.3760(18) . ?
C18 C23 1.3839(19) . ?
C19 H19 0.9300 . ?
C19 C20 1.3755(19) . ?
C20 H20 0.9300 . ?
C20 C21 1.3843(19) . ?
C21 C22 1.3707(19) . ?
C21 C24 1.4995(19) . ?
C22 H22 0.9300 . ?
C22 C23 1.3726(19) . ?
C23 H23 0.9300 . ?
C24 H24 0.9800 . ?
C24 C25 1.517(2) . ?
C24 C26 1.508(2) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?

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 C7 124.73(13) . . ?
C1 N1 C8 124.69(13) . . ?
C7 N1 C8 110.58(11) . . ?
N3 N2 C8 105.26(10) . . ?
C9 N2 N3 112.45(11) . . ?
C9 N2 C8 117.44(10) . . ?
N2 N3 C7 105.20(10) . . ?
C18 N3 N2 112.45(11) . . ?
C18 N3 C7 117.65(11) . . ?
N1 C1 C2 120.93(14) . . ?
N1 C1 C6 121.01(14) . . ?
C6 C1 C2 118.06(14) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.29(16) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 H3 119.4 . . ?
C4 C3 C2 121.29(16) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 H4 120.7 . . ?
C5 C4 C3 118.65(15) . . ?
C5 C4 H4 120.7 . . ?
C4 C5 H5 119.3 . . ?
C4 C5 C6 121.39(16) . . ?
C6 C5 H5 119.3 . . ?
C1 C6 H6 119.8 . . ?
C5 C6 C1 120.33(16) . . ?
C5 C6 H6 119.8 . . ?
N1 C7 N3 104.05(11) . . ?
N1 C7 H7A 110.9 . . ?
N1 C7 H7B 110.9 . . ?
N3 C7 H7A 110.9 . . ?
N3 C7 H7B 110.9 . . ?
H7A C7 H7B 109.0 . . ?
N1 C8 N2 104.03(11) . . ?
N1 C8 H8A 111.0 . . ?
N1 C8 H8B 111.0 . . ?
N2 C8 H8A 111.0 . . ?
N2 C8 H8B 111.0 . . ?
H8A C8 H8B 109.0 . . ?
C10 C9 N2 122.05(11) . . ?
C14 C9 N2 119.45(12) . . ?
C14 C9 C10 118.36(12) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.51(12) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 119.1 . . ?
C10 C11 C12 121.85(13) . . ?
C12 C11 H11 119.1 . . ?
C11 C12 C13 116.87(12) . . ?
C11 C12 C15 119.40(12) . . ?
C13 C12 C15 123.68(12) . . ?
C12 C13 H13 118.9 . . ?
C14 C13 C12 122.19(12) . . ?
C14 C13 H13 118.9 . . ?
C9 C14 H14 120.0 . . ?
C13 C14 C9 120.03(12) . . ?
C13 C14 H14 120.0 . . ?
C12 C15 H15 107.4 . . ?
C12 C15 C16 109.81(13) . . ?
C12 C15 C17 113.62(13) . . ?
C16 C15 H15 107.4 . . ?
C17 C15 H15 107.4 . . ?
C17 C15 C16 110.93(14) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 N3 119.33(12) . . ?
C19 C18 C23 118.41(12) . . ?
C23 C18 N3 122.11(11) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 119.94(12) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 118.9 . . ?
C19 C20 C21 122.20(12) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 C24 123.73(12) . . ?
C22 C21 C20 116.82(12) . . ?
C22 C21 C24 119.39(12) . . ?
C21 C22 H22 119.0 . . ?
C21 C22 C23 121.91(13) . . ?
C23 C22 H22 119.0 . . ?
C18 C23 H23 119.7 . . ?
C22 C23 C18 120.53(12) . . ?
C22 C23 H23 119.7 . . ?
C21 C24 H24 107.4 . . ?
C21 C24 C25 109.67(13) . . ?
C21 C24 C26 113.65(13) . . ?
C25 C24 H24 107.4 . . ?
C26 C24 H24 107.4 . . ?
C26 C24 C25 110.94(14) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 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
N1 C1 C2 C3 179.87(16) . . . . ?
N1 C1 C6 C5 179.74(16) . . . . ?
N2 N3 C7 N1 -27.02(15) . . . . ?
N2 N3 C18 C19 165.27(11) . . . . ?
N2 N3 C18 C23 -19.23(16) . . . . ?
N2 C9 C10 C11 -179.21(12) . . . . ?
N2 C9 C14 C13 -179.81(12) . . . . ?
N3 N2 C8 N1 -27.12(15) . . . . ?
N3 N2 C9 C10 -19.21(16) . . . . ?
N3 N2 C9 C14 165.20(11) . . . . ?
N3 C18 C19 C20 -179.87(11) . . . . ?
N3 C18 C23 C22 -179.06(12) . . . . ?
C1 N1 C7 N3 -169.92(15) . . . . ?
C1 N1 C8 N2 -169.84(15) . . . . ?
C1 C2 C3 C4 0.4(3) . . . . ?
C2 C1 C6 C5 -0.1(2) . . . . ?
C2 C3 C4 C5 -0.1(3) . . . . ?
C3 C4 C5 C6 -0.3(3) . . . . ?
C4 C5 C6 C1 0.4(3) . . . . ?
C6 C1 C2 C3 -0.3(2) . . . . ?
C7 N1 C1 C2 177.24(16) . . . . ?
C7 N1 C1 C6 -2.6(3) . . . . ?
C7 N1 C8 N2 10.19(18) . . . . ?
C7 N3 C18 C19 42.82(17) . . . . ?
C7 N3 C18 C23 -141.67(13) . . . . ?
C8 N1 C1 C2 -2.7(3) . . . . ?
C8 N1 C1 C6 177.43(16) . . . . ?
C8 N1 C7 N3 10.05(18) . . . . ?
C8 N2 N3 C7 33.79(13) . . . . ?
C8 N2 N3 C18 -95.44(12) . . . . ?
C8 N2 C9 C10 -141.58(13) . . . . ?
C8 N2 C9 C14 42.82(17) . . . . ?
C9 N2 N3 C7 -95.23(12) . . . . ?
C9 N2 N3 C18 135.54(11) . . . . ?
C9 N2 C8 N1 98.87(15) . . . . ?
C9 C10 C11 C12 -0.3(2) . . . . ?
C10 C9 C14 C13 4.43(19) . . . . ?
C10 C11 C12 C13 3.2(2) . . . . ?
C10 C11 C12 C15 -174.13(13) . . . . ?
C11 C12 C13 C14 -2.3(2) . . . . ?
C11 C12 C15 C16 87.51(17) . . . . ?
C11 C12 C15 C17 -147.62(14) . . . . ?
C12 C13 C14 C9 -1.5(2) . . . . ?
C13 C12 C15 C16 -89.63(17) . . . . ?
C13 C12 C15 C17 35.3(2) . . . . ?
C14 C9 C10 C11 -3.6(2) . . . . ?
C15 C12 C13 C14 174.91(13) . . . . ?
C18 N3 C7 N1 99.06(15) . . . . ?
C18 C19 C20 C21 -1.5(2) . . . . ?
C19 C18 C23 C22 -3.5(2) . . . . ?
C19 C20 C21 C22 -2.4(2) . . . . ?
C19 C20 C21 C24 174.89(13) . . . . ?
C20 C21 C22 C23 3.4(2) . . . . ?
C20 C21 C24 C25 -89.66(17) . . . . ?
C20 C21 C24 C26 35.2(2) . . . . ?
C21 C22 C23 C18 -0.5(2) . . . . ?
C22 C21 C24 C25 87.52(17) . . . . ?
C22 C21 C24 C26 -147.66(14) . . . . ?
C23 C18 C19 C20 4.46(19) . . . . ?
C24 C21 C22 C23 -174.03(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
