#------------------------------------------------------------------------------
#$Date: 2024-12-06 18:47:05 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296406 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/24/1572485.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_1572485
loop_
_publ_author_name
'Chen, Kaixin'
'Lin, Jie'
'Jing, Jing'
'Wang, Junda'
'Hu, Jiayu'
'Yi, Hong'
'Lei, Aiwen'
'Li, Jie'
_publ_section_title
;
 Cobalt-catalyzed conformationally restricted alkylarylation enables
 divergent access to Csp³-rich N-heterocycles.
;
_journal_issue                   39
_journal_name_full               'Chemical science'
_journal_page_first              16250
_journal_page_last               16258
_journal_paper_doi               10.1039/d4sc04056b
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C26 H20 Cl F2 N O S'
_chemical_formula_weight         467.94
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2024-02-02 deposited with the CCDC.	2024-09-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 120.721(17)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.743(3)
_cell_length_b                   16.564(4)
_cell_length_c                   12.926(3)
_cell_measurement_temperature    180(2)
_cell_volume                     2161.4(10)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_reflns_av_R_equivalents  0.1153
_diffrn_reflns_av_unetI/netI     0.1071
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19916
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.996
_diffrn_reflns_theta_min         3.809
_exptl_absorpt_coefficient_mu    1.831
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.391
_refine_diff_density_min         -0.602
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3953
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1409
_refine_ls_R_factor_gt           0.0717
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1254P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1765
_refine_ls_wR_factor_ref         0.2201
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2214
_reflns_number_total             3953
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc04056b2.cif
_cod_data_source_block           b230317c1_0m
_cod_depositor_comments
'Adding full bibliography for 1572482--1572485.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1572485
_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   0.771
_shelx_estimated_absorpt_t_max   0.838
_shelxl_version_number           2014-3
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'
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
Cl1 Cl 0.23751(14) -0.54174(8) 1.12308(11) 0.0678(5) Uani 1 1 d . . . . .
S1 S -0.57079(11) -0.35663(7) -0.13001(9) 0.0417(4) Uani 1 1 d . . . . .
F1 F -0.0818(2) -0.34202(15) 0.36608(19) 0.0452(7) Uani 1 1 d . . . . .
F2 F 0.0029(3) -0.24669(15) 0.5008(2) 0.0533(7) Uani 1 1 d . . . . .
O1 O 0.1050(3) -0.4221(2) 0.5803(3) 0.0501(9) Uani 1 1 d . . . . .
N1 N -0.0244(3) -0.3719(2) 0.6540(3) 0.0368(9) Uani 1 1 d . . . . .
C1 C 0.0175(4) -0.3788(3) 0.5744(4) 0.0385(11) Uani 1 1 d . . . . .
C2 C -0.0672(4) -0.3189(3) 0.4731(3) 0.0393(11) Uani 1 1 d . . . . .
C3 C -0.1909(4) -0.3077(3) 0.4778(3) 0.0398(11) Uani 1 1 d . . . . .
H3 H -0.2333 -0.2545 0.4424 0.048 Uiso 1 1 calc R U . . .
C4 C -0.1295(4) -0.3077(3) 0.6165(3) 0.0409(11) Uani 1 1 d . . . . .
H4 H -0.0861 -0.2544 0.6498 0.049 Uiso 1 1 calc R U . . .
C5 C -0.2275(5) -0.3253(3) 0.6578(4) 0.0473(13) Uani 1 1 d . . . . .
H5A H -0.1774 -0.3360 0.7454 0.057 Uiso 1 1 calc R U . . .
H5B H -0.2824 -0.2766 0.6441 0.057 Uiso 1 1 calc R U . . .
C6 C -0.3186(4) -0.3965(3) 0.5943(4) 0.0474(12) Uani 1 1 d . . . . .
H6A H -0.3849 -0.4008 0.6196 0.057 Uiso 1 1 calc R U . . .
H6B H -0.2661 -0.4469 0.6177 0.057 Uiso 1 1 calc R U . . .
C7 C -0.3894(4) -0.3862(3) 0.4580(4) 0.0451(12) Uani 1 1 d . . . . .
H7A H -0.4460 -0.3374 0.4344 0.054 Uiso 1 1 calc R U . . .
H7B H -0.4474 -0.4334 0.4187 0.054 Uiso 1 1 calc R U . . .
C8 C -0.2894(4) -0.3781(3) 0.4139(4) 0.0401(11) Uani 1 1 d . . . . .
H8 H -0.2360 -0.4289 0.4374 0.048 Uiso 1 1 calc R U . . .
C9 C -0.4839(4) -0.3701(3) 0.0269(4) 0.0384(11) Uani 1 1 d . . . . .
C10 C -0.3949(4) -0.4315(3) 0.0906(4) 0.0375(11) Uani 1 1 d . . . . .
H10 H -0.3751 -0.4717 0.0497 0.045 Uiso 1 1 calc R U . . .
C11 C -0.3358(4) -0.4332(3) 0.2140(4) 0.0395(11) Uani 1 1 d . . . . .
H11 H -0.2763 -0.4758 0.2576 0.047 Uiso 1 1 calc R U . . .
C12 C -0.3611(4) -0.3731(3) 0.2779(4) 0.0372(11) Uani 1 1 d . . . . .
C13 C -0.4502(4) -0.3121(3) 0.2123(3) 0.0358(10) Uani 1 1 d . . . . .
H13 H -0.4685 -0.2714 0.2535 0.043 Uiso 1 1 calc R U . . .
C14 C -0.5133(4) -0.3091(3) 0.0869(4) 0.0337(10) Uani 1 1 d . . . . .
C15 C -0.6083(4) -0.2512(3) 0.0023(3) 0.0353(10) Uani 1 1 d . . . . .
C16 C -0.6621(4) -0.1824(3) 0.0250(4) 0.0414(11) Uani 1 1 d . . . . .
H16 H -0.6376 -0.1687 0.1051 0.050 Uiso 1 1 calc R U . . .
C17 C -0.7510(5) -0.1349(3) -0.0703(4) 0.0486(13) Uani 1 1 d . . . . .
H17 H -0.7884 -0.0888 -0.0551 0.058 Uiso 1 1 calc R U . . .
C18 C -0.7866(5) -0.1537(3) -0.1886(4) 0.0475(12) Uani 1 1 d . . . . .
H18 H -0.8465 -0.1196 -0.2526 0.057 Uiso 1 1 calc R U . . .
C19 C -0.7359(4) -0.2211(3) -0.2134(4) 0.0431(12) Uani 1 1 d . . . . .
H19 H -0.7610 -0.2342 -0.2938 0.052 Uiso 1 1 calc R U . . .
C20 C -0.6469(4) -0.2696(3) -0.1180(3) 0.0362(10) Uani 1 1 d . . . . .
C21 C 0.0382(4) -0.4128(3) 0.7675(4) 0.0354(10) Uani 1 1 d . . . . .
C22 C 0.0412(4) -0.4959(3) 0.7704(4) 0.0410(11) Uani 1 1 d . . . . .
H22 H 0.0024 -0.5258 0.6974 0.049 Uiso 1 1 calc R U . . .
C23 C 0.1004(4) -0.5357(3) 0.8790(4) 0.0443(12) Uani 1 1 d . . . . .
H23 H 0.1020 -0.5930 0.8814 0.053 Uiso 1 1 calc R U . . .
C24 C 0.1575(4) -0.4917(3) 0.9845(4) 0.0444(12) Uani 1 1 d . . . . .
C25 C 0.1563(5) -0.4084(3) 0.9835(4) 0.0442(12) Uani 1 1 d . . . . .
H25 H 0.1963 -0.3790 1.0569 0.053 Uiso 1 1 calc R U . . .
C26 C 0.0959(4) -0.3680(3) 0.8738(3) 0.0394(11) Uani 1 1 d . . . . .
H26 H 0.0938 -0.3107 0.8713 0.047 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0140 0.0070 '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 0.3280 0.5430 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0580 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0240 0.0130 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0390 0.0240 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2920 0.4300 '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
C20 S1 C9 91.38(19) . . ?
C1 N1 C21 122.9(4) . . ?
C1 N1 C4 111.7(3) . . ?
C21 N1 C4 124.8(3) . . ?
O1 C1 N1 128.5(4) . . ?
O1 C1 C2 126.1(4) . . ?
N1 C1 C2 105.4(4) . . ?
F1 C2 F2 104.7(3) . . ?
F1 C2 C3 117.1(3) . . ?
F2 C2 C3 110.0(4) . . ?
F1 C2 C1 112.1(4) . . ?
F2 C2 C1 107.2(3) . . ?
C3 C2 C1 105.4(3) . . ?
C2 C3 C8 111.1(3) . . ?
C2 C3 C4 99.1(3) . . ?
C8 C3 C4 113.2(3) . . ?
C2 C3 H3 111.0 . . ?
C8 C3 H3 111.0 . . ?
C4 C3 H3 111.0 . . ?
N1 C4 C5 113.1(3) . . ?
N1 C4 C3 101.1(3) . . ?
C5 C4 C3 114.6(4) . . ?
N1 C4 H4 109.2 . . ?
C5 C4 H4 109.2 . . ?
C3 C4 H4 109.2 . . ?
C6 C5 C4 114.1(4) . . ?
C6 C5 H5A 108.7 . . ?
C4 C5 H5A 108.7 . . ?
C6 C5 H5B 108.7 . . ?
C4 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
C5 C6 C7 110.8(4) . . ?
C5 C6 H6A 109.5 . . ?
C7 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C7 C6 H6B 109.5 . . ?
H6A C6 H6B 108.1 . . ?
C6 C7 C8 111.5(4) . . ?
C6 C7 H7A 109.3 . . ?
C8 C7 H7A 109.3 . . ?
C6 C7 H7B 109.3 . . ?
C8 C7 H7B 109.3 . . ?
H7A C7 H7B 108.0 . . ?
C12 C8 C3 113.5(3) . . ?
C12 C8 C7 110.8(3) . . ?
C3 C8 C7 111.6(3) . . ?
C12 C8 H8 106.9 . . ?
C3 C8 H8 106.9 . . ?
C7 C8 H8 106.9 . . ?
C10 C9 C14 121.1(4) . . ?
C10 C9 S1 126.5(3) . . ?
C14 C9 S1 112.3(3) . . ?
C11 C10 C9 118.9(4) . . ?
C11 C10 H10 120.5 . . ?
C9 C10 H10 120.5 . . ?
C10 C11 C12 121.9(4) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 H11 119.0 . . ?
C13 C12 C11 118.1(4) . . ?
C13 C12 C8 123.3(4) . . ?
C11 C12 C8 118.6(4) . . ?
C12 C13 C14 121.5(4) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 H13 119.3 . . ?
C13 C14 C9 118.4(4) . . ?
C13 C14 C15 130.1(4) . . ?
C9 C14 C15 111.5(4) . . ?
C16 C15 C20 118.6(4) . . ?
C16 C15 C14 129.2(4) . . ?
C20 C15 C14 112.1(4) . . ?
C17 C16 C15 119.4(4) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C16 C17 C18 121.0(4) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C19 C18 C17 120.7(4) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C20 118.7(4) . . ?
C18 C19 H19 120.7 . . ?
C20 C19 H19 120.7 . . ?
C19 C20 C15 121.6(4) . . ?
C19 C20 S1 125.8(3) . . ?
C15 C20 S1 112.7(3) . . ?
C22 C21 C26 120.8(4) . . ?
C22 C21 N1 119.5(4) . . ?
C26 C21 N1 119.6(4) . . ?
C23 C22 C21 119.9(4) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 119.5(4) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C25 C24 C23 121.4(4) . . ?
C25 C24 Cl1 118.8(4) . . ?
C23 C24 Cl1 119.8(4) . . ?
C24 C25 C26 119.2(4) . . ?
C24 C25 H25 120.4 . . ?
C26 C25 H25 120.4 . . ?
C25 C26 C21 119.1(4) . . ?
C25 C26 H26 120.4 . . ?
C21 C26 H26 120.4 . . ?
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
Cl1 C24 1.749(4) . ?
S1 C20 1.745(4) . ?
S1 C9 1.758(4) . ?
F1 C2 1.359(4) . ?
F2 C2 1.392(5) . ?
O1 C1 1.223(5) . ?
N1 C1 1.354(5) . ?
N1 C21 1.431(5) . ?
N1 C4 1.509(5) . ?
C1 C2 1.535(6) . ?
C2 C3 1.496(6) . ?
C3 C8 1.551(6) . ?
C3 C4 1.554(5) . ?
C3 H3 1.0000 . ?
C4 C5 1.523(6) . ?
C4 H4 1.0000 . ?
C5 C6 1.520(7) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.526(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.551(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C12 1.514(5) . ?
C8 H8 1.0000 . ?
C9 C10 1.387(6) . ?
C9 C14 1.419(5) . ?
C10 C11 1.377(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.419(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.388(6) . ?
C13 C14 1.397(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.454(6) . ?
C15 C16 1.404(6) . ?
C15 C20 1.412(5) . ?
C16 C17 1.383(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.399(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.378(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.393(6) . ?
C19 H19 0.9500 . ?
C21 C22 1.378(6) . ?
C21 C26 1.395(5) . ?
C22 C23 1.375(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.379(7) . ?
C25 C26 1.391(6) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
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
C21 N1 C1 O1 4.8(7) . . . . ?
C4 N1 C1 O1 176.5(4) . . . . ?
C21 N1 C1 C2 -174.2(4) . . . . ?
C4 N1 C1 C2 -2.6(5) . . . . ?
O1 C1 C2 F1 28.4(6) . . . . ?
N1 C1 C2 F1 -152.5(3) . . . . ?
O1 C1 C2 F2 -86.0(5) . . . . ?
N1 C1 C2 F2 93.1(4) . . . . ?
O1 C1 C2 C3 156.9(4) . . . . ?
N1 C1 C2 C3 -24.0(4) . . . . ?
F1 C2 C3 C8 44.7(5) . . . . ?
F2 C2 C3 C8 164.1(3) . . . . ?
C1 C2 C3 C8 -80.7(4) . . . . ?
F1 C2 C3 C4 164.1(4) . . . . ?
F2 C2 C3 C4 -76.6(4) . . . . ?
C1 C2 C3 C4 38.7(4) . . . . ?
C1 N1 C4 C5 149.7(4) . . . . ?
C21 N1 C4 C5 -38.8(5) . . . . ?
C1 N1 C4 C3 26.7(4) . . . . ?
C21 N1 C4 C3 -161.8(4) . . . . ?
C2 C3 C4 N1 -38.6(4) . . . . ?
C8 C3 C4 N1 79.1(4) . . . . ?
C2 C3 C4 C5 -160.6(4) . . . . ?
C8 C3 C4 C5 -42.9(5) . . . . ?
N1 C4 C5 C6 -69.1(5) . . . . ?
C3 C4 C5 C6 46.1(5) . . . . ?
C4 C5 C6 C7 -53.5(5) . . . . ?
C5 C6 C7 C8 58.5(5) . . . . ?
C2 C3 C8 C12 -76.0(5) . . . . ?
C4 C3 C8 C12 173.5(3) . . . . ?
C2 C3 C8 C7 158.0(3) . . . . ?
C4 C3 C8 C7 47.5(5) . . . . ?
C6 C7 C8 C12 176.6(4) . . . . ?
C6 C7 C8 C3 -56.0(5) . . . . ?
C20 S1 C9 C10 -179.5(4) . . . . ?
C20 S1 C9 C14 0.2(3) . . . . ?
C14 C9 C10 C11 0.7(6) . . . . ?
S1 C9 C10 C11 -179.7(3) . . . . ?
C9 C10 C11 C12 -1.3(6) . . . . ?
C10 C11 C12 C13 1.1(6) . . . . ?
C10 C11 C12 C8 -178.4(4) . . . . ?
C3 C8 C12 C13 -65.6(5) . . . . ?
C7 C8 C12 C13 60.8(5) . . . . ?
C3 C8 C12 C11 113.9(4) . . . . ?
C7 C8 C12 C11 -119.7(4) . . . . ?
C11 C12 C13 C14 -0.2(6) . . . . ?
C8 C12 C13 C14 179.3(4) . . . . ?
C12 C13 C14 C9 -0.4(6) . . . . ?
C12 C13 C14 C15 -179.9(4) . . . . ?
C10 C9 C14 C13 0.2(6) . . . . ?
S1 C9 C14 C13 -179.5(3) . . . . ?
C10 C9 C14 C15 179.8(4) . . . . ?
S1 C9 C14 C15 0.1(4) . . . . ?
C13 C14 C15 C16 -0.1(7) . . . . ?
C9 C14 C15 C16 -179.6(4) . . . . ?
C13 C14 C15 C20 179.1(4) . . . . ?
C9 C14 C15 C20 -0.4(5) . . . . ?
C20 C15 C16 C17 0.1(6) . . . . ?
C14 C15 C16 C17 179.3(4) . . . . ?
C15 C16 C17 C18 -0.9(7) . . . . ?
C16 C17 C18 C19 1.3(7) . . . . ?
C17 C18 C19 C20 -0.8(7) . . . . ?
C18 C19 C20 C15 0.1(6) . . . . ?
C18 C19 C20 S1 -179.5(3) . . . . ?
C16 C15 C20 C19 0.3(6) . . . . ?
C14 C15 C20 C19 -179.0(4) . . . . ?
C16 C15 C20 S1 179.9(3) . . . . ?
C14 C15 C20 S1 0.6(4) . . . . ?
C9 S1 C20 C19 179.1(4) . . . . ?
C9 S1 C20 C15 -0.4(3) . . . . ?
C1 N1 C21 C22 -61.7(6) . . . . ?
C4 N1 C21 C22 127.7(4) . . . . ?
C1 N1 C21 C26 118.1(5) . . . . ?
C4 N1 C21 C26 -52.5(5) . . . . ?
C26 C21 C22 C23 0.6(6) . . . . ?
N1 C21 C22 C23 -179.5(4) . . . . ?
C21 C22 C23 C24 -0.6(6) . . . . ?
C22 C23 C24 C25 0.1(6) . . . . ?
C22 C23 C24 Cl1 -178.0(3) . . . . ?
C23 C24 C25 C26 0.2(6) . . . . ?
Cl1 C24 C25 C26 178.4(3) . . . . ?
C24 C25 C26 C21 -0.2(6) . . . . ?
C22 C21 C26 C25 -0.3(6) . . . . ?
N1 C21 C26 C25 179.9(4) . . . . ?
