# Electronic Supplementary Material (ESI) for Materials Advances.
# This journal is © The Royal Society of Chemistry 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2339716'
loop_
_audit_author_name
_audit_author_address
'Nao Xiao'
;Capital Medical University
China
;
_audit_update_record             
;
2024-03-12 deposited with the CCDC.	2024-05-23 downloaded from the CCDC.
;
_audit_creation_date             2022-05-05
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6396)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H27 N3'
_chemical_formula_sum            'C25 H27 N3'
_chemical_formula_weight         369.49
_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.2287(4)
_cell_length_b                   11.3058(4)
_cell_length_c                   16.1029(6)
_cell_angle_alpha                90
_cell_angle_beta                 100.4710(10)
_cell_angle_gamma                90
_cell_volume                     2010.21(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9123
_cell_measurement_temperature    298.00
_cell_measurement_theta_max      64.945
_cell_measurement_theta_min      5.153
_shelx_estimated_absorpt_T_max   0.999
_shelx_estimated_absorpt_T_min   0.986
_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_T_max  0.7526
_exptl_absorpt_correction_T_min  0.6025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1615 before and 0.0677 after correction.
The Ratio of minimum to maximum transmission is 0.8006.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17350
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.481
_diffrn_reflns_theta_min         2.578
_diffrn_ambient_temperature      298.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.971
_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           2.86
_diffrn_source_power             0.1997996
_diffrn_source_voltage           69.86
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3862
_reflns_number_total             4484
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.311
_refine_diff_density_min         -0.173
_refine_diff_density_rms         0.039
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         4484
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0431
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0675P)²+0.3948P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1192
_refine_ls_wR_factor_ref         0.1246
_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 Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C5(H5A,H5B), C23(H23A,H23B), C19(H19A,H19B), C25(H25A,H25B),
 C24(H24A,H24B), C17(H17A,H17B), C18(H18A,H18B)
2.b Aromatic/amide H refined with riding coordinates:
 C13(H13), C15(H15), C21(H21), C12(H12), C11(H11)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C)
;
_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
N3 N -0.03865(8) 0.28519(8) 0.62485(6) 0.0267(2) Uani 1 1 d . . . . .
C14 C 0.19896(9) 0.43863(9) 0.48131(6) 0.0244(2) Uani 1 1 d . . . . .
C13 C 0.27700(9) 0.49056(9) 0.42895(7) 0.0259(2) Uani 1 1 d . . . . .
H13 H 0.266360 0.463999 0.373433 0.031 Uiso 1 1 calc R U . . .
C15 C 0.12057(9) 0.34629(9) 0.44937(6) 0.0250(2) Uani 1 1 d . . . . .
H15 H 0.120596 0.320019 0.394645 0.030 Uiso 1 1 calc R U . . .
C21 C 0.19447(9) 0.47736(9) 0.56380(6) 0.0252(2) Uani 1 1 d . . . . .
H21 H 0.246594 0.537396 0.587183 0.030 Uiso 1 1 calc R U . . .
C20 C 0.03879(9) 0.33451(9) 0.57802(6) 0.0222(2) Uani 1 1 d . . . . .
C16 C 0.04326(9) 0.29252(9) 0.49548(7) 0.0248(2) Uani 1 1 d . . . . .
N1 N 0.83322(10) 0.93460(10) 0.32140(8) 0.0458(3) Uani 1 1 d . . . . .
N2 N 0.70877(11) 0.92369(12) 0.56280(8) 0.0510(3) Uani 1 1 d . . . . .
C12 C 0.36393(10) 0.57360(10) 0.45169(7) 0.0273(2) Uani 1 1 d . . . . .
H12 H 0.377540 0.598822 0.507587 0.033 Uiso 1 1 calc R U . . .
C22 C 0.11574(9) 0.42967(9) 0.61122(6) 0.0238(2) Uani 1 1 d . . . . .
C10 C 0.43689(9) 0.62603(9) 0.39674(7) 0.0253(2) Uani 1 1 d . . . . .
C11 C 0.52330(10) 0.70795(10) 0.42786(7) 0.0287(2) Uani 1 1 d . . . . .
H11 H 0.531117 0.730499 0.484136 0.034 Uiso 1 1 calc R U . . .
C9 C 0.41929(10) 0.59028(10) 0.30513(7) 0.0282(2) Uani 1 1 d . . . . .
H9A H 0.333913 0.575148 0.284899 0.034 Uiso 1 1 calc R U . . .
H9B H 0.462644 0.516999 0.300757 0.034 Uiso 1 1 calc R U . . .
C4 C 0.60196(9) 0.76034(10) 0.37787(7) 0.0275(2) Uani 1 1 d . . . . .
C5 C 0.59211(9) 0.71990(11) 0.28803(7) 0.0299(2) Uani 1 1 d . . . . .
H5A H 0.646065 0.653290 0.286350 0.036 Uiso 1 1 calc R U . . .
H5B H 0.618326 0.783366 0.255018 0.036 Uiso 1 1 calc R U . . .
C3 C 0.69926(11) 0.88645(11) 0.49558(8) 0.0361(3) Uani 1 1 d . . . . .
C2 C 0.68702(10) 0.84391(10) 0.41068(7) 0.0301(2) Uani 1 1 d . . . . .
C6 C 0.46284(9) 0.68325(10) 0.24776(7) 0.0276(2) Uani 1 1 d . . . . .
C23 C 0.10857(11) 0.47571(10) 0.69803(7) 0.0319(3) Uani 1 1 d . . . . .
H23A H 0.045959 0.535653 0.693803 0.038 Uiso 1 1 calc R U . . .
H23B H 0.185121 0.511783 0.722959 0.038 Uiso 1 1 calc R U . . .
C19 C -0.12284(11) 0.19084(11) 0.59203(7) 0.0334(3) Uani 1 1 d . . . . .
H19A H -0.196952 0.200309 0.614284 0.040 Uiso 1 1 calc R U . . .
H19B H -0.087524 0.115178 0.611334 0.040 Uiso 1 1 calc R U . . .
C1 C 0.76873(10) 0.89360(10) 0.36124(8) 0.0333(3) Uani 1 1 d . . . . .
C25 C -0.03647(11) 0.31545(11) 0.71312(7) 0.0332(3) Uani 1 1 d . . . . .
H25A H -0.047144 0.243921 0.744216 0.040 Uiso 1 1 calc R U . . .
H25B H -0.103883 0.367671 0.716708 0.040 Uiso 1 1 calc R U . . .
C24 C 0.08000(11) 0.37504(11) 0.75387(7) 0.0329(3) Uani 1 1 d . . . . .
H24A H 0.145652 0.318035 0.761770 0.040 Uiso 1 1 calc R U . . .
H24B H 0.071874 0.405631 0.808847 0.040 Uiso 1 1 calc R U . . .
C7 C 0.37788(11) 0.78975(11) 0.23768(8) 0.0384(3) Uani 1 1 d . . . . .
H7A H 0.297485 0.764650 0.213184 0.058 Uiso 1 1 calc R U . . .
H7B H 0.405452 0.847127 0.201496 0.058 Uiso 1 1 calc R U . . .
H7C H 0.377272 0.824462 0.292005 0.058 Uiso 1 1 calc R U . . .
C17 C -0.03741(11) 0.19081(11) 0.46003(8) 0.0344(3) Uani 1 1 d . . . . .
H17A H 0.005280 0.116703 0.473467 0.041 Uiso 1 1 calc R U . . .
H17B H -0.057672 0.197750 0.399056 0.041 Uiso 1 1 calc R U . . .
C18 C -0.15269(11) 0.19088(11) 0.49683(7) 0.0349(3) Uani 1 1 d . . . . .
H18A H -0.200389 0.260379 0.477446 0.042 Uiso 1 1 calc R U . . .
H18B H -0.200492 0.121459 0.477420 0.042 Uiso 1 1 calc R U . . .
C8 C 0.46474(13) 0.62913(13) 0.16092(8) 0.0426(3) Uani 1 1 d . . . . .
H8A H 0.519031 0.562821 0.166984 0.064 Uiso 1 1 calc R U . . .
H8B H 0.491666 0.687382 0.125080 0.064 Uiso 1 1 calc R U . . .
H8C H 0.384710 0.603240 0.136204 0.064 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
N3 C20 1.3690(13) . ?
N3 C19 1.4592(14) . ?
N3 C25 1.4578(14) . ?
C14 C13 1.4463(14) . ?
C14 C15 1.4017(14) . ?
C14 C21 1.4083(14) . ?
C13 H13 0.9300 . ?
C13 C12 1.3558(15) . ?
C15 H15 0.9300 . ?
C15 C16 1.3816(14) . ?
C21 H21 0.9300 . ?
C21 C22 1.3786(14) . ?
C20 C16 1.4207(14) . ?
C20 C22 1.4220(14) . ?
C16 C17 1.5102(14) . ?
N1 C1 1.1487(16) . ?
N2 C3 1.1483(17) . ?
C12 H12 0.9300 . ?
C12 C10 1.4384(14) . ?
C22 C23 1.5075(14) . ?
C10 C11 1.3688(15) . ?
C10 C9 1.5075(15) . ?
C11 H11 0.9300 . ?
C11 C4 1.4274(14) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C6 1.5367(14) . ?
C4 C5 1.5021(16) . ?
C4 C2 1.3786(15) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.5352(14) . ?
C3 C2 1.4321(17) . ?
C2 C1 1.4341(15) . ?
C6 C7 1.5265(16) . ?
C6 C8 1.5301(16) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.5204(16) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C18 1.5085(16) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C24 1.5109(16) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.5183(16) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 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
C20 N3 C19 122.19(9) . . ?
C20 N3 C25 122.80(9) . . ?
C25 N3 C19 114.82(9) . . ?
C15 C14 C13 119.68(10) . . ?
C15 C14 C21 116.74(9) . . ?
C21 C14 C13 123.57(9) . . ?
C14 C13 H13 116.3 . . ?
C12 C13 C14 127.33(10) . . ?
C12 C13 H13 116.3 . . ?
C14 C15 H15 118.5 . . ?
C16 C15 C14 123.00(10) . . ?
C16 C15 H15 118.5 . . ?
C14 C21 H21 118.7 . . ?
C22 C21 C14 122.50(9) . . ?
C22 C21 H21 118.7 . . ?
N3 C20 C16 120.88(9) . . ?
N3 C20 C22 120.29(9) . . ?
C16 C20 C22 118.83(9) . . ?
C15 C16 C20 119.22(9) . . ?
C15 C16 C17 121.61(10) . . ?
C20 C16 C17 119.16(9) . . ?
C13 C12 H12 117.2 . . ?
C13 C12 C10 125.58(10) . . ?
C10 C12 H12 117.2 . . ?
C21 C22 C20 119.65(9) . . ?
C21 C22 C23 121.75(9) . . ?
C20 C22 C23 118.60(9) . . ?
C12 C10 C9 120.23(9) . . ?
C11 C10 C12 119.91(10) . . ?
C11 C10 C9 119.86(9) . . ?
C10 C11 H11 118.5 . . ?
C10 C11 C4 122.98(10) . . ?
C4 C11 H11 118.5 . . ?
C10 C9 H9A 108.8 . . ?
C10 C9 H9B 108.8 . . ?
C10 C9 C6 113.92(9) . . ?
H9A C9 H9B 107.7 . . ?
C6 C9 H9A 108.8 . . ?
C6 C9 H9B 108.8 . . ?
C11 C4 C5 118.17(10) . . ?
C2 C4 C11 121.66(10) . . ?
C2 C4 C5 120.15(10) . . ?
C4 C5 H5A 109.0 . . ?
C4 C5 H5B 109.0 . . ?
C4 C5 C6 112.80(9) . . ?
H5A C5 H5B 107.8 . . ?
C6 C5 H5A 109.0 . . ?
C6 C5 H5B 109.0 . . ?
N2 C3 C2 178.10(14) . . ?
C4 C2 C3 122.38(10) . . ?
C4 C2 C1 121.63(11) . . ?
C3 C2 C1 115.99(10) . . ?
C5 C6 C9 108.09(9) . . ?
C7 C6 C9 110.03(9) . . ?
C7 C6 C5 110.89(9) . . ?
C7 C6 C8 109.30(10) . . ?
C8 C6 C9 109.56(9) . . ?
C8 C6 C5 108.95(9) . . ?
C22 C23 H23A 109.7 . . ?
C22 C23 H23B 109.7 . . ?
C22 C23 C24 110.04(9) . . ?
H23A C23 H23B 108.2 . . ?
C24 C23 H23A 109.7 . . ?
C24 C23 H23B 109.7 . . ?
N3 C19 H19A 109.2 . . ?
N3 C19 H19B 109.2 . . ?
N3 C19 C18 112.18(9) . . ?
H19A C19 H19B 107.9 . . ?
C18 C19 H19A 109.2 . . ?
C18 C19 H19B 109.2 . . ?
N1 C1 C2 179.13(13) . . ?
N3 C25 H25A 109.0 . . ?
N3 C25 H25B 109.0 . . ?
N3 C25 C24 112.83(9) . . ?
H25A C25 H25B 107.8 . . ?
C24 C25 H25A 109.0 . . ?
C24 C25 H25B 109.0 . . ?
C23 C24 H24A 109.7 . . ?
C23 C24 H24B 109.7 . . ?
C25 C24 C23 109.63(10) . . ?
C25 C24 H24A 109.7 . . ?
C25 C24 H24B 109.7 . . ?
H24A C24 H24B 108.2 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C16 C17 H17A 109.6 . . ?
C16 C17 H17B 109.6 . . ?
C16 C17 C18 110.33(9) . . ?
H17A C17 H17B 108.1 . . ?
C18 C17 H17A 109.6 . . ?
C18 C17 H17B 109.6 . . ?
C19 C18 C17 110.42(10) . . ?
C19 C18 H18A 109.6 . . ?
C19 C18 H18B 109.6 . . ?
C17 C18 H18A 109.6 . . ?
C17 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 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
N3 C20 C16 C15 178.53(9) . . . . ?
N3 C20 C16 C17 -0.98(15) . . . . ?
N3 C20 C22 C21 179.09(9) . . . . ?
N3 C20 C22 C23 -0.92(15) . . . . ?
N3 C19 C18 C17 52.18(14) . . . . ?
N3 C25 C24 C23 49.54(13) . . . . ?
C14 C13 C12 C10 -177.71(10) . . . . ?
C14 C15 C16 C20 2.34(16) . . . . ?
C14 C15 C16 C17 -178.17(10) . . . . ?
C14 C21 C22 C20 2.58(16) . . . . ?
C14 C21 C22 C23 -177.41(10) . . . . ?
C13 C14 C15 C16 -179.85(10) . . . . ?
C13 C14 C21 C22 177.27(10) . . . . ?
C13 C12 C10 C11 -178.97(11) . . . . ?
C13 C12 C10 C9 0.49(17) . . . . ?
C15 C14 C13 C12 -174.66(11) . . . . ?
C15 C14 C21 C22 -1.31(16) . . . . ?
C15 C16 C17 C18 -149.90(11) . . . . ?
C21 C14 C13 C12 6.79(18) . . . . ?
C21 C14 C15 C16 -1.20(16) . . . . ?
C21 C22 C23 C24 -146.42(10) . . . . ?
C20 N3 C19 C18 -24.15(15) . . . . ?
C20 N3 C25 C24 -17.52(16) . . . . ?
C20 C16 C17 C18 29.59(14) . . . . ?
C20 C22 C23 C24 33.59(14) . . . . ?
C16 C20 C22 C21 -1.38(15) . . . . ?
C16 C20 C22 C23 178.62(10) . . . . ?
C16 C17 C18 C19 -54.34(14) . . . . ?
C12 C10 C11 C4 177.61(10) . . . . ?
C12 C10 C9 C6 156.92(10) . . . . ?
C22 C20 C16 C15 -1.00(15) . . . . ?
C22 C20 C16 C17 179.49(10) . . . . ?
C22 C23 C24 C25 -56.84(13) . . . . ?
C10 C11 C4 C5 -2.39(16) . . . . ?
C10 C11 C4 C2 179.06(10) . . . . ?
C10 C9 C6 C5 50.11(12) . . . . ?
C10 C9 C6 C7 -71.11(12) . . . . ?
C10 C9 C6 C8 168.70(10) . . . . ?
C11 C10 C9 C6 -23.62(14) . . . . ?
C11 C4 C5 C6 31.74(14) . . . . ?
C11 C4 C2 C3 -2.20(17) . . . . ?
C11 C4 C2 C1 177.88(10) . . . . ?
C9 C10 C11 C4 -1.85(17) . . . . ?
C4 C5 C6 C9 -53.98(12) . . . . ?
C4 C5 C6 C7 66.70(12) . . . . ?
C4 C5 C6 C8 -172.96(10) . . . . ?
C5 C4 C2 C3 179.28(10) . . . . ?
C5 C4 C2 C1 -0.64(17) . . . . ?
C2 C4 C5 C6 -149.69(10) . . . . ?
C19 N3 C20 C16 -2.18(16) . . . . ?
C19 N3 C20 C22 177.34(10) . . . . ?
C19 N3 C25 C24 157.54(10) . . . . ?
C25 N3 C20 C16 172.52(10) . . . . ?
C25 N3 C20 C22 -7.96(16) . . . . ?
C25 N3 C19 C18 160.76(10) . . . . ?


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