#------------------------------------------------------------------------------
#$Date: 2024-04-05 01:50:13 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290852 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/09/1570938.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1570938
loop_
_publ_author_name
'An, Bohang'
'Cui, Hao'
'Zheng, Chao'
'Chen, Ji-Lin'
'Lan, Feng'
'You, Shu-Li'
'Zhang, Xiao'
_publ_section_title
;
 Tunable C-H functionalization and dearomatization enabled by an organic
 photocatalyst.
;
_journal_issue                   11
_journal_name_full               'Chemical science'
_journal_page_first              4114
_journal_page_last               4120
_journal_paper_doi               10.1039/d4sc00120f
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C26 H17 Cl N3 O2'
_chemical_formula_weight         438.88
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-06-23 deposited with the CCDC.	2024-02-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 132.054(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   30.8340(15)
_cell_length_b                   7.8320(2)
_cell_length_c                   22.5177(11)
_cell_measurement_reflns_used    9232
_cell_measurement_temperature    261(2)
_cell_measurement_theta_max      76.3560
_cell_measurement_theta_min      2.8430
_cell_volume                     4037.7(6)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      261(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0900
_diffrn_reflns_av_unetI/netI     0.0495
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            21560
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.565
_diffrn_reflns_theta_min         3.862
_exptl_absorpt_coefficient_mu    1.925
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.13661
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.581
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         4262
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0965
_refine_ls_R_factor_gt           0.0873
_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)+(0.1824P)²+1.9874P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2537
_refine_ls_wR_factor_ref         0.2661
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3547
_reflns_number_total             4262
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc00120f2.cif
_cod_data_source_block           abh-2_auto
_cod_depositor_comments
'Adding full bibliography for 1570938--1570942.cif.'
_cod_original_cell_volume        4037.7(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1570938
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.578
_shelx_estimated_absorpt_t_max   0.788
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
C1 C 0.32077(11) 0.4252(3) 0.57369(14) 0.0427(5) Uani 1 1 d . . . . .
C2 C 0.29573(11) 0.3743(3) 0.49611(14) 0.0449(5) Uani 1 1 d . . . . .
C3 C 0.23938(11) 0.4268(3) 0.42829(14) 0.0450(5) Uani 1 1 d . . . . .
C4 C 0.20735(11) 0.5256(3) 0.43990(15) 0.0451(5) Uani 1 1 d . . . . .
C5 C 0.23162(10) 0.5789(3) 0.51768(14) 0.0427(5) Uani 1 1 d . . . . .
C6 C 0.28958(10) 0.5297(3) 0.58519(14) 0.0426(5) Uani 1 1 d . . . . .
C7 C 0.38188(11) 0.4715(3) 0.70465(15) 0.0472(6) Uani 1 1 d . . . . .
C8 C 0.32978(11) 0.5615(3) 0.67055(14) 0.0455(5) Uani 1 1 d . . . . .
C9 C 0.32863(12) 0.6564(4) 0.72158(17) 0.0562(7) Uani 1 1 d . . . . .
H9 H 0.295438 0.718566 0.701089 0.067 Uiso 1 1 calc R U . . .
C10 C 0.37664(13) 0.6585(5) 0.80259(18) 0.0679(9) Uani 1 1 d . . . . .
H10 H 0.375282 0.721426 0.836348 0.081 Uiso 1 1 calc R U . . .
C11 C 0.42736(13) 0.5676(5) 0.83486(18) 0.0663(8) Uani 1 1 d . . . . .
H11 H 0.459080 0.570304 0.889733 0.080 Uiso 1 1 calc R U . . .
C12 C 0.43093(12) 0.4741(4) 0.78636(17) 0.0580(7) Uani 1 1 d . . . . .
H12 H 0.464755 0.415077 0.807350 0.070 Uiso 1 1 calc R U . . .
C13 C 0.27877(12) 0.2613(3) 0.39072(15) 0.0502(6) Uani 1 1 d . . . . .
C14 C 0.28232(14) 0.1688(4) 0.34199(18) 0.0581(7) Uani 1 1 d . . . . .
H14 H 0.315515 0.105807 0.363118 0.070 Uiso 1 1 calc R U . . .
C15 C 0.23458(16) 0.1731(4) 0.26036(19) 0.0649(8) Uani 1 1 d . . . . .
H15 H 0.235509 0.110754 0.226067 0.078 Uiso 1 1 calc R U . . .
C16 C 0.18508(16) 0.2696(4) 0.22881(18) 0.0663(8) Uani 1 1 d . . . . .
H16 H 0.154022 0.272168 0.173716 0.080 Uiso 1 1 calc R U . . .
C17 C 0.18121(14) 0.3610(4) 0.27737(17) 0.0576(7) Uani 1 1 d . . . . .
H17 H 0.148009 0.424728 0.255584 0.069 Uiso 1 1 calc R U . . .
C18 C 0.22820(12) 0.3561(3) 0.36007(15) 0.0486(6) Uani 1 1 d . . . . .
C19 C 0.13731(11) 0.6744(3) 0.42138(16) 0.0504(6) Uani 1 1 d . . . . .
C20 C 0.08521(12) 0.7600(4) 0.38666(19) 0.0625(8) Uani 1 1 d . . . . .
H20 H 0.053994 0.760254 0.331599 0.075 Uiso 1 1 calc R U . . .
C21 C 0.08217(13) 0.8435(4) 0.4373(2) 0.0658(8) Uani 1 1 d . . . . .
H21 H 0.048498 0.904218 0.415790 0.079 Uiso 1 1 calc R U . . .
C22 C 0.12811(14) 0.8401(4) 0.5201(2) 0.0635(8) Uani 1 1 d . . . . .
H22 H 0.124167 0.895205 0.552834 0.076 Uiso 1 1 calc R U . . .
C23 C 0.17956(12) 0.7553(4) 0.55392(17) 0.0545(6) Uani 1 1 d . . . . .
H23 H 0.210029 0.753407 0.609176 0.065 Uiso 1 1 calc R U . . .
C24 C 0.18545(11) 0.6732(3) 0.50498(15) 0.0452(5) Uani 1 1 d . . . . .
C25 C 0.48155(13) 0.1053(4) 0.64455(17) 0.0559(6) Uani 1 1 d . . . . .
C26 C 0.49808(17) 0.0629(6) 0.5961(2) 0.0763(10) Uani 1 1 d . . . . .
H26A H 0.494606 -0.059328 0.586988 0.092 Uiso 1 1 calc R U . . .
H26B H 0.538584 0.094053 0.626782 0.092 Uiso 1 1 calc R U . . .
N1 N 0.37469(9) 0.3879(3) 0.64485(13) 0.0472(5) Uani 1 1 d . . . . .
H1 H 0.400078 0.322900 0.651386 0.057 Uiso 1 1 calc R U . . .
N2 N 0.31914(10) 0.2754(3) 0.47375(13) 0.0489(5) Uani 1 1 d . . . . .
H2 H 0.353215 0.229207 0.505692 0.059 Uiso 1 1 calc R U . . .
N3 N 0.15147(10) 0.5824(3) 0.38420(13) 0.0518(5) Uani 1 1 d . . . . .
H3 H 0.128499 0.563874 0.333607 0.062 Uiso 1 1 calc R U . . .
Cl1 Cl 0.45442(7) 0.1683(3) 0.50390(7) 0.1344(7) Uani 1 1 d . . . . .
O5 O 0.43840(10) 0.1863(3) 0.61742(14) 0.0654(6) Uani 1 1 d . . . . .
O4 O 0.51868(10) 0.0453(3) 0.71543(13) 0.0684(6) Uani 1 1 d . . . A -1
H4 H 0.533888 0.124014 0.747737 0.103 Uiso 1 1 calc DR U . A -1
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'
Cl Cl 0.3639 0.7018 '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'
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
N1 C1 C6 110.7(2) . . ?
N1 C1 C2 128.4(2) . . ?
C6 C1 C2 120.9(2) . . ?
N2 C2 C3 109.9(2) . . ?
N2 C2 C1 129.0(2) . . ?
C3 C2 C1 121.1(2) . . ?
C2 C3 C4 118.0(2) . . ?
C2 C3 C18 106.6(2) . . ?
C4 C3 C18 135.4(2) . . ?
N3 C4 C3 128.4(2) . . ?
N3 C4 C5 109.6(2) . . ?
C3 C4 C5 122.0(2) . . ?
C6 C5 C4 118.9(2) . . ?
C6 C5 C24 135.6(2) . . ?
C4 C5 C24 105.5(2) . . ?
C1 C6 C5 119.0(2) . . ?
C1 C6 C8 105.1(2) . . ?
C5 C6 C8 135.9(2) . . ?
N1 C7 C12 128.3(2) . . ?
N1 C7 C8 109.0(2) . . ?
C12 C7 C8 122.7(2) . . ?
C9 C8 C7 117.7(2) . . ?
C9 C8 C6 135.7(2) . . ?
C7 C8 C6 106.5(2) . . ?
C10 C9 C8 120.1(3) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 121.1(3) . . ?
C9 C10 H10 119.4 . . ?
C11 C10 H10 119.4 . . ?
C12 C11 C10 120.9(3) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C11 C12 C7 117.5(3) . . ?
C11 C12 H12 121.3 . . ?
C7 C12 H12 121.3 . . ?
C14 C13 N2 129.3(3) . . ?
C14 C13 C18 122.3(3) . . ?
N2 C13 C18 108.3(2) . . ?
C13 C14 C15 117.5(3) . . ?
C13 C14 H14 121.2 . . ?
C15 C14 H14 121.2 . . ?
C14 C15 C16 121.0(3) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C17 C16 C15 121.6(3) . . ?
C17 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
C16 C17 C18 118.6(3) . . ?
C16 C17 H17 120.7 . . ?
C18 C17 H17 120.7 . . ?
C17 C18 C13 118.9(2) . . ?
C17 C18 C3 134.7(3) . . ?
C13 C18 C3 106.4(2) . . ?
N3 C19 C20 128.5(3) . . ?
N3 C19 C24 109.1(2) . . ?
C20 C19 C24 122.3(3) . . ?
C21 C20 C19 117.1(3) . . ?
C21 C20 H20 121.4 . . ?
C19 C20 H20 121.4 . . ?
C20 C21 C22 121.9(3) . . ?
C20 C21 H21 119.0 . . ?
C22 C21 H21 119.0 . . ?
C23 C22 C21 120.5(3) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 119.7(3) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C19 118.3(2) . . ?
C23 C24 C5 135.3(2) . . ?
C19 C24 C5 106.4(2) . . ?
O5 C25 O4 126.0(3) . . ?
O5 C25 C26 122.6(3) . . ?
O4 C25 C26 111.5(3) . . ?
C25 C26 Cl1 112.8(2) . . ?
C25 C26 H26A 109.0 . . ?
Cl1 C26 H26A 109.0 . . ?
C25 C26 H26B 109.0 . . ?
Cl1 C26 H26B 109.0 . . ?
H26A C26 H26B 107.8 . . ?
C1 N1 C7 108.7(2) . . ?
C1 N1 H1 125.7 . . ?
C7 N1 H1 125.7 . . ?
C2 N2 C13 108.8(2) . . ?
C2 N2 H2 125.6 . . ?
C13 N2 H2 125.6 . . ?
C4 N3 C19 109.4(2) . . ?
C4 N3 H3 125.3 . . ?
C19 N3 H3 125.3 . . ?
C25 O4 H4 109.5 . . ?
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
C1 N1 1.359(3) . ?
C1 C6 1.413(4) . ?
C1 C2 1.414(3) . ?
C2 N2 1.365(3) . ?
C2 C3 1.402(4) . ?
C3 C4 1.410(4) . ?
C3 C18 1.441(3) . ?
C4 N3 1.358(3) . ?
C4 C5 1.430(3) . ?
C5 C6 1.419(3) . ?
C5 C24 1.452(4) . ?
C6 C8 1.450(3) . ?
C7 N1 1.375(3) . ?
C7 C12 1.395(4) . ?
C7 C8 1.419(4) . ?
C8 C9 1.389(4) . ?
C9 C10 1.379(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.399(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.379(4) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.379(4) . ?
C13 N2 1.393(3) . ?
C13 C18 1.420(4) . ?
C14 C15 1.386(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.397(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.378(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.398(4) . ?
C17 H17 0.9300 . ?
C19 N3 1.379(4) . ?
C19 C20 1.400(4) . ?
C19 C24 1.415(3) . ?
C20 C21 1.371(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.395(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.385(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.389(4) . ?
C23 H23 0.9300 . ?
C25 O5 1.207(4) . ?
C25 O4 1.277(4) . ?
C25 C26 1.517(4) . ?
C26 Cl1 1.750(4) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
N1 H1 0.8600 . ?
N2 H2 0.8600 . ?
N3 H3 0.8600 . ?
O4 H4 0.8200 . ?
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 N2 0.5(4) . . . . ?
C6 C1 C2 N2 179.8(2) . . . . ?
N1 C1 C2 C3 -178.9(2) . . . . ?
C6 C1 C2 C3 0.4(4) . . . . ?
N2 C2 C3 C4 177.7(2) . . . . ?
C1 C2 C3 C4 -2.8(3) . . . . ?
N2 C2 C3 C18 -0.7(3) . . . . ?
C1 C2 C3 C18 178.8(2) . . . . ?
C2 C3 C4 N3 -176.1(2) . . . . ?
C18 C3 C4 N3 1.7(5) . . . . ?
C2 C3 C4 C5 2.8(3) . . . . ?
C18 C3 C4 C5 -179.4(3) . . . . ?
N3 C4 C5 C6 178.6(2) . . . . ?
C3 C4 C5 C6 -0.5(3) . . . . ?
N3 C4 C5 C24 0.3(3) . . . . ?
C3 C4 C5 C24 -178.8(2) . . . . ?
N1 C1 C6 C5 -178.5(2) . . . . ?
C2 C1 C6 C5 2.0(3) . . . . ?
N1 C1 C6 C8 2.3(3) . . . . ?
C2 C1 C6 C8 -177.1(2) . . . . ?
C4 C5 C6 C1 -2.0(3) . . . . ?
C24 C5 C6 C1 175.7(2) . . . . ?
C4 C5 C6 C8 176.8(2) . . . . ?
C24 C5 C6 C8 -5.5(5) . . . . ?
N1 C7 C8 C9 -179.2(2) . . . . ?
C12 C7 C8 C9 0.5(4) . . . . ?
N1 C7 C8 C6 -0.4(3) . . . . ?
C12 C7 C8 C6 179.3(2) . . . . ?
C1 C6 C8 C9 177.4(3) . . . . ?
C5 C6 C8 C9 -1.5(5) . . . . ?
C1 C6 C8 C7 -1.1(3) . . . . ?
C5 C6 C8 C7 180.0(3) . . . . ?
C7 C8 C9 C10 -1.2(4) . . . . ?
C6 C8 C9 C10 -179.5(3) . . . . ?
C8 C9 C10 C11 0.7(5) . . . . ?
C9 C10 C11 C12 0.5(6) . . . . ?
C10 C11 C12 C7 -1.1(5) . . . . ?
N1 C7 C12 C11 -179.7(3) . . . . ?
C8 C7 C12 C11 0.6(4) . . . . ?
N2 C13 C14 C15 178.0(3) . . . . ?
C18 C13 C14 C15 1.1(4) . . . . ?
C13 C14 C15 C16 0.8(4) . . . . ?
C14 C15 C16 C17 -1.4(5) . . . . ?
C15 C16 C17 C18 0.0(4) . . . . ?
C16 C17 C18 C13 1.9(4) . . . . ?
C16 C17 C18 C3 -177.3(3) . . . . ?
C14 C13 C18 C17 -2.5(4) . . . . ?
N2 C13 C18 C17 -180.0(2) . . . . ?
C14 C13 C18 C3 176.9(2) . . . . ?
N2 C13 C18 C3 -0.6(3) . . . . ?
C2 C3 C18 C17 180.0(3) . . . . ?
C4 C3 C18 C17 2.0(5) . . . . ?
C2 C3 C18 C13 0.8(3) . . . . ?
C4 C3 C18 C13 -177.2(3) . . . . ?
N3 C19 C20 C21 -179.7(3) . . . . ?
C24 C19 C20 C21 -0.3(4) . . . . ?
C19 C20 C21 C22 -1.8(5) . . . . ?
C20 C21 C22 C23 2.0(5) . . . . ?
C21 C22 C23 C24 0.1(5) . . . . ?
C22 C23 C24 C19 -2.1(4) . . . . ?
C22 C23 C24 C5 177.8(3) . . . . ?
N3 C19 C24 C23 -178.2(2) . . . . ?
C20 C19 C24 C23 2.3(4) . . . . ?
N3 C19 C24 C5 1.9(3) . . . . ?
C20 C19 C24 C5 -177.6(2) . . . . ?
C6 C5 C24 C23 0.9(5) . . . . ?
C4 C5 C24 C23 178.8(3) . . . . ?
C6 C5 C24 C19 -179.2(3) . . . . ?
C4 C5 C24 C19 -1.3(3) . . . . ?
O5 C25 C26 Cl1 8.5(5) . . . . ?
O4 C25 C26 Cl1 -171.3(3) . . . . ?
C6 C1 N1 C7 -2.6(3) . . . . ?
C2 C1 N1 C7 176.7(2) . . . . ?
C12 C7 N1 C1 -177.9(3) . . . . ?
C8 C7 N1 C1 1.8(3) . . . . ?
C3 C2 N2 C13 0.3(3) . . . . ?
C1 C2 N2 C13 -179.2(2) . . . . ?
C14 C13 N2 C2 -177.0(3) . . . . ?
C18 C13 N2 C2 0.2(3) . . . . ?
C3 C4 N3 C19 179.9(2) . . . . ?
C5 C4 N3 C19 0.9(3) . . . . ?
C20 C19 N3 C4 177.7(3) . . . . ?
C24 C19 N3 C4 -1.7(3) . . . . ?
