#------------------------------------------------------------------------------
#$Date: 2021-06-05 20:17:57 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265842 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/81/7128116.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_7128116
loop_
_publ_author_name
'Dhaka, Arun'
'Jeannin, Olivier'
'Aubert, Emmanuel'
'Espinosa, Enrique'
'Fourmigué, Marc'
_publ_section_title
;
 Supramolecular rectangles through directional chalcogen bonding.
;
_journal_issue                   37
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4560
_journal_page_last               4563
_journal_paper_doi               10.1039/d1cc00789k
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C20 H14 Te2, C12 H12 N2'
_chemical_formula_sum            'C32 H26 N2 Te2'
_chemical_formula_weight         693.75
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2020-10-14T17:00:31-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2021-01-28 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.683(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6599(7)
_cell_length_b                   24.9103(15)
_cell_length_c                   11.7016(8)
_cell_measurement_reflns_used    6379
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.51
_cell_measurement_theta_min      2.33
_cell_measurement_wavelength     0.71073
_cell_volume                     2845.6(3)
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2014)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2014)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2014)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_orient_matrix_UB_11      -0.074471
_diffrn_orient_matrix_UB_12      0.023052
_diffrn_orient_matrix_UB_13      -0.059425
_diffrn_orient_matrix_UB_21      -0.05251
_diffrn_orient_matrix_UB_22      -0.003575
_diffrn_orient_matrix_UB_23      0.053766
_diffrn_orient_matrix_UB_31      0.046799
_diffrn_orient_matrix_UB_32      0.032671
_diffrn_orient_matrix_UB_33      0.047813
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_unetI/netI     0.048
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.99
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            21215
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.99
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.536
_diffrn_reflns_theta_min         2.186
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.072
_exptl_absorpt_correction_T_max  0.780
_exptl_absorpt_correction_T_min  0.646
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.988
_refine_diff_density_min         -0.579
_refine_diff_density_rms         0.09
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     324
_refine_ls_number_reflns         6490
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0912
_refine_ls_R_factor_gt           0.0501
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0396P)²+5.7083P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1025
_refine_ls_wR_factor_ref         0.118
_reflns_Friedel_coverage         0
_reflns_number_gt                4174
_reflns_number_total             6490
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc00789k2.cif
_cod_data_source_block           BTMEA-bpe
_cod_depositor_comments
'Adding full bibliography for 7128116--7128119.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7128116
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.9705(5) 0.30375(19) 1.0552(4) 0.0446(12) Uani 1 1 d . . . . .
C2 C 1.0942(5) 0.2807(2) 1.1218(5) 0.0574(14) Uani 1 1 d . . . . .
H2 H 1.1578 0.2778 1.0862 0.069 Uiso 1 1 calc R U . . .
C3 C 1.1283(6) 0.2609(2) 1.2444(6) 0.0626(16) Uani 1 1 d . . . . .
H3 H 1.2139 0.2457 1.2885 0.075 Uiso 1 1 calc R U . . .
C4 C 1.0373(6) 0.2641(2) 1.2969(5) 0.0589(15) Uani 1 1 d . . . . .
H4 H 1.0622 0.2518 1.3781 0.071 Uiso 1 1 calc R U . . .
C5 C 0.9043(5) 0.28581(19) 1.2317(4) 0.0458(12) Uani 1 1 d . . . . .
C6 C 0.8690(5) 0.30646(17) 1.1081(4) 0.0392(11) Uani 1 1 d . . . . .
C7 C 0.7379(5) 0.32701(18) 1.0428(4) 0.0382(11) Uani 1 1 d . . . . .
H7 H 0.7157 0.341 0.9633 0.046 Uiso 1 1 calc R U . . .
C8 C 0.8059(6) 0.2863(2) 1.2811(5) 0.0516(13) Uani 1 1 d . . . . .
H8 H 0.8287 0.2729 1.3611 0.062 Uiso 1 1 calc R U . . .
C9 C 0.5018(5) 0.3464(2) 1.0233(5) 0.0464(12) Uani 1 1 d . . . . .
C10 C 0.6396(5) 0.32726(18) 1.0918(4) 0.0414(11) Uani 1 1 d . . . . .
C11 C 0.6744(6) 0.3062(2) 1.2154(5) 0.0506(13) Uani 1 1 d . . . . .
C12 C 0.5732(6) 0.3065(3) 1.2666(5) 0.0644(16) Uani 1 1 d . . . . .
H12 H 0.5953 0.2935 1.3469 0.077 Uiso 1 1 calc R U . . .
C13 C 0.4465(7) 0.3252(3) 1.2002(6) 0.0714(17) Uani 1 1 d . . . . .
H13 H 0.3825 0.3253 1.2356 0.086 Uiso 1 1 calc R U . . .
C14 C 0.4084(6) 0.3449(2) 1.0768(5) 0.0628(15) Uani 1 1 d . . . . .
H14 H 0.3193 0.3568 1.0318 0.075 Uiso 1 1 calc R U . . .
C15 C 0.9388(5) 0.3250(2) 0.9333(5) 0.0473(12) Uani 1 1 d . . . . .
C16 C 0.9153(6) 0.3435(3) 0.8338(5) 0.0623(15) Uani 1 1 d . . . . .
C17 C 0.4609(5) 0.3668(2) 0.8986(5) 0.0468(12) Uani 1 1 d . . . . .
C18 C 0.4229(5) 0.3821(2) 0.7939(5) 0.0549(14) Uani 1 1 d . . . . .
C19 C 1.0127(9) 0.3350(3) 0.6260(8) 0.111(3) Uani 1 1 d . . . . .
H19A H 1.1015 0.341 0.6912 0.167 Uiso 1 1 calc R U . . .
H19B H 1.0132 0.3458 0.5475 0.167 Uiso 1 1 calc R U . . .
H19C H 0.9904 0.2975 0.6229 0.167 Uiso 1 1 calc R U . . .
C20A C 0.414(2) 0.3408(6) 0.5398(13) 0.093(6) Uani 0.65(2) 1 d . . P . .
H20A H 0.5013 0.3469 0.5375 0.139 Uiso 0.65(2) 1 calc R U P . .
H20B H 0.4191 0.3105 0.5926 0.139 Uiso 0.65(2) 1 calc R U P . .
H20C H 0.347 0.3336 0.457 0.139 Uiso 0.65(2) 1 calc R U P . .
C20B C 0.333(4) 0.3370(12) 0.544(3) 0.093(6) Uani 0.35(2) 1 d . . P . .
H20D H 0.2989 0.3387 0.4546 0.139 Uiso 0.35(2) 1 calc R U P . .
H20E H 0.4199 0.3194 0.5767 0.139 Uiso 0.35(2) 1 calc R U P . .
H20F H 0.269 0.3173 0.5671 0.139 Uiso 0.35(2) 1 calc R U P . .
C21 C 0.6947(8) 0.4361(3) 0.3462(6) 0.0731(17) Uani 1 1 d . . . . .
H21 H 0.6232 0.4258 0.3678 0.088 Uiso 1 1 calc R U . . .
C22 C 0.6628(7) 0.4599(2) 0.2332(6) 0.0713(17) Uani 1 1 d . . . . .
H22 H 0.5715 0.4646 0.1792 0.086 Uiso 1 1 calc R U . . .
C23 C 0.7645(7) 0.4770(3) 0.1989(6) 0.079(2) Uani 1 1 d . U . . .
C24 C 0.8972(8) 0.4702(4) 0.2857(7) 0.107(3) Uani 1 1 d . U . . .
H24 H 0.9708 0.4827 0.2697 0.129 Uiso 1 1 calc R U . . .
C25 C 0.9186(8) 0.4445(4) 0.3966(7) 0.106(3) Uani 1 1 d . . . . .
H25 H 1.0085 0.4395 0.4535 0.128 Uiso 1 1 calc R U . . .
C26 C 0.7316(8) 0.5037(4) 0.0734(7) 0.105(2) Uani 1 1 d . . . . .
H26A H 0.6407 0.4923 0.017 0.127 Uiso 1 1 calc R U . . .
H26B H 0.728 0.5422 0.0844 0.127 Uiso 1 1 calc R U . . .
C27 C 0.8205(8) 0.4939(4) 0.0160(7) 0.105(2) Uani 1 1 d . . . . .
H27A H 0.8274 0.4553 0.0087 0.127 Uiso 1 1 calc R U . . .
H27B H 0.9105 0.5068 0.0709 0.127 Uiso 1 1 calc R U . . .
C28 C 0.6751(7) 0.5139(3) -0.3318(6) 0.0758(19) Uani 1 1 d . . . . .
H28 H 0.6188 0.4948 -0.4019 0.091 Uiso 1 1 calc R U . . .
C29 C 0.7001(7) 0.4923(3) -0.2164(6) 0.0721(17) Uani 1 1 d . . . . .
H29 H 0.6592 0.46 -0.2103 0.087 Uiso 1 1 calc R U . . .
C30 C 0.7852(6) 0.5182(3) -0.1110(5) 0.0593(15) Uani 1 1 d . . . . .
C31 C 0.8384(6) 0.5667(3) -0.1289(6) 0.0659(16) Uani 1 1 d . . . . .
H31 H 0.895 0.5868 -0.0606 0.079 Uiso 1 1 calc R U . . .
C32 C 0.8073(7) 0.5848(2) -0.2471(6) 0.0639(15) Uani 1 1 d . . . . .
H32 H 0.8465 0.617 -0.2563 0.077 Uiso 1 1 calc R U . . .
N1 N 0.8202(7) 0.4269(2) 0.4263(5) 0.0787(16) Uani 1 1 d . . . . .
N2 N 0.7256(5) 0.5599(2) -0.3494(4) 0.0613(12) Uani 1 1 d . . . . .
Te1 Te 0.86542(5) 0.38005(2) 0.66223(4) 0.07778(17) Uani 1 1 d . . . . .
Te2 Te 0.35280(4) 0.41114(2) 0.61298(3) 0.05763(14) Uani 1 1 d . . . . .
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 0 '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'
Te Te -0.5308 1.6751 '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
C2 C1 C15 121.0(5) . . ?
C2 C1 C6 119.6(5) . . ?
C15 C1 C6 119.5(4) . . ?
C1 C2 C3 121.4(6) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C4 C3 C2 120.2(5) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 121.8(5) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
C8 C5 C4 122.7(5) . . ?
C8 C5 C6 118.8(4) . . ?
C4 C5 C6 118.5(5) . . ?
C7 C6 C5 118.9(4) . . ?
C7 C6 C1 122.6(4) . . ?
C5 C6 C1 118.4(4) . . ?
C10 C7 C6 122.3(4) . . ?
C10 C7 H7 118.8 . . ?
C6 C7 H7 118.8 . . ?
C5 C8 C11 122.4(5) . . ?
C5 C8 H8 118.8 . . ?
C11 C8 H8 118.8 . . ?
C14 C9 C17 119.5(5) . . ?
C14 C9 C10 120.1(5) . . ?
C17 C9 C10 120.5(5) . . ?
C7 C10 C11 118.8(4) . . ?
C7 C10 C9 122.9(4) . . ?
C11 C10 C9 118.2(5) . . ?
C8 C11 C12 122.3(5) . . ?
C8 C11 C10 118.8(5) . . ?
C12 C11 C10 119.0(5) . . ?
C13 C12 C11 120.9(5) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C12 C13 C14 121.3(6) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C9 C14 C13 120.6(5) . . ?
C9 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C16 C15 C1 178.2(6) . . ?
C15 C16 Te1 175.9(6) . . ?
C18 C17 C9 177.2(6) . . ?
C17 C18 Te2 177.8(5) . . ?
Te1 C19 H19A 109.5 . . ?
Te1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Te1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Te2 C20A H20A 109.5 . . ?
Te2 C20A H20B 109.5 . . ?
H20A C20A H20B 109.5 . . ?
Te2 C20A H20C 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
Te2 C20B H20D 109.5 . . ?
Te2 C20B H20E 109.5 . . ?
H20D C20B H20E 109.5 . . ?
Te2 C20B H20F 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?
N1 C21 C22 123.8(7) . . ?
N1 C21 H21 118.1 . . ?
C22 C21 H21 118.1 . . ?
C21 C22 C23 120.1(6) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C24 116.5(6) . . ?
C22 C23 C26 121.2(6) . . ?
C24 C23 C26 122.3(7) . . ?
C25 C24 C23 118.8(7) . . ?
C25 C24 H24 120.6 . . ?
C23 C24 H24 120.6 . . ?
N1 C25 C24 123.9(7) . . ?
N1 C25 H25 118 . . ?
C24 C25 H25 118 . . ?
C27 C26 C23 117.0(6) . . ?
C27 C26 H26A 108 . . ?
C23 C26 H26A 108 . . ?
C27 C26 H26B 108 . . ?
C23 C26 H26B 108 . . ?
H26A C26 H26B 107.3 . . ?
C26 C27 C30 117.3(6) . . ?
C26 C27 H27A 108 . . ?
C30 C27 H27A 108 . . ?
C26 C27 H27B 108 . . ?
C30 C27 H27B 108 . . ?
H27A C27 H27B 107.2 . . ?
N2 C28 C29 124.3(6) . . ?
N2 C28 H28 117.8 . . ?
C29 C28 H28 117.8 . . ?
C30 C29 C28 119.9(6) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C29 C30 C31 116.1(5) . . ?
C29 C30 C27 120.9(6) . . ?
C31 C30 C27 123.0(6) . . ?
C32 C31 C30 119.6(6) . . ?
C32 C31 H31 120.2 . . ?
C30 C31 H31 120.2 . . ?
N2 C32 C31 124.5(6) . . ?
N2 C32 H32 117.7 . . ?
C31 C32 H32 117.7 . . ?
C25 N1 C21 116.7(6) . . ?
C28 N2 C32 115.6(5) . . ?
C16 Te1 C19 92.2(3) . . ?
C20B Te2 C18 91.6(8) . . ?
C20B Te2 C20A 24.3(10) . . ?
C18 Te2 C20A 94.5(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
C1 C2 1.361(7) . ?
C1 C15 1.428(7) . ?
C1 C6 1.448(7) . ?
C2 C3 1.419(8) . ?
C2 H2 0.93 . ?
C3 C4 1.343(8) . ?
C3 H3 0.93 . ?
C4 C5 1.420(7) . ?
C4 H4 0.93 . ?
C5 C8 1.385(7) . ?
C5 C6 1.436(6) . ?
C6 C7 1.394(6) . ?
C7 C10 1.382(7) . ?
C7 H7 0.93 . ?
C8 C11 1.391(7) . ?
C8 H8 0.93 . ?
C9 C14 1.373(7) . ?
C9 C17 1.438(7) . ?
C9 C10 1.442(7) . ?
C10 C11 1.441(7) . ?
C11 C12 1.429(7) . ?
C12 C13 1.342(8) . ?
C12 H12 0.93 . ?
C13 C14 1.421(8) . ?
C13 H13 0.93 . ?
C14 H14 0.93 . ?
C15 C16 1.182(7) . ?
C16 Te1 2.071(6) . ?
C17 C18 1.188(7) . ?
C18 Te2 2.072(6) . ?
C19 Te1 2.107(7) . ?
C19 H19A 0.96 . ?
C19 H19B 0.96 . ?
C19 H19C 0.96 . ?
C20A Te2 2.161(14) . ?
C20A H20A 0.96 . ?
C20A H20B 0.96 . ?
C20A H20C 0.96 . ?
C20B Te2 1.99(3) . ?
C20B H20D 0.96 . ?
C20B H20E 0.96 . ?
C20B H20F 0.96 . ?
C21 N1 1.308(8) . ?
C21 C22 1.363(9) . ?
C21 H21 0.93 . ?
C22 C23 1.366(9) . ?
C22 H22 0.93 . ?
C23 C24 1.381(9) . ?
C23 C26 1.520(8) . ?
C24 C25 1.381(9) . ?
C24 H24 0.93 . ?
C25 N1 1.308(9) . ?
C25 H25 0.93 . ?
C26 C27 1.385(9) . ?
C26 H26A 0.97 . ?
C26 H26B 0.97 . ?
C27 C30 1.506(8) . ?
C27 H27A 0.97 . ?
C27 H27B 0.97 . ?
C28 N2 1.315(8) . ?
C28 C29 1.377(8) . ?
C28 H28 0.93 . ?
C29 C30 1.365(8) . ?
C29 H29 0.93 . ?
C30 C31 1.387(8) . ?
C31 C32 1.364(8) . ?
C31 H31 0.93 . ?
C32 N2 1.320(7) . ?
C32 H32 0.93 . ?
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
C15 C1 C2 C3 178.1(5) . . . . ?
C6 C1 C2 C3 -2.4(8) . . . . ?
C1 C2 C3 C4 0.8(8) . . . . ?
C2 C3 C4 C5 1.7(9) . . . . ?
C3 C4 C5 C8 175.7(5) . . . . ?
C3 C4 C5 C6 -2.3(8) . . . . ?
C8 C5 C6 C7 0.9(7) . . . . ?
C4 C5 C6 C7 179.0(4) . . . . ?
C8 C5 C6 C1 -177.5(4) . . . . ?
C4 C5 C6 C1 0.6(7) . . . . ?
C2 C1 C6 C7 -176.6(5) . . . . ?
C15 C1 C6 C7 2.8(7) . . . . ?
C2 C1 C6 C5 1.7(7) . . . . ?
C15 C1 C6 C5 -178.8(4) . . . . ?
C5 C6 C7 C10 -1.3(7) . . . . ?
C1 C6 C7 C10 177.0(4) . . . . ?
C4 C5 C8 C11 -178.1(5) . . . . ?
C6 C5 C8 C11 -0.1(8) . . . . ?
C6 C7 C10 C11 0.8(7) . . . . ?
C6 C7 C10 C9 -177.4(4) . . . . ?
C14 C9 C10 C7 179.1(5) . . . . ?
C17 C9 C10 C7 -0.5(7) . . . . ?
C14 C9 C10 C11 0.9(7) . . . . ?
C17 C9 C10 C11 -178.8(4) . . . . ?
C5 C8 C11 C12 179.8(5) . . . . ?
C5 C8 C11 C10 -0.4(8) . . . . ?
C7 C10 C11 C8 0.1(7) . . . . ?
C9 C10 C11 C8 178.3(5) . . . . ?
C7 C10 C11 C12 179.9(5) . . . . ?
C9 C10 C11 C12 -1.9(7) . . . . ?
C8 C11 C12 C13 -179.0(6) . . . . ?
C10 C11 C12 C13 1.2(9) . . . . ?
C11 C12 C13 C14 0.5(10) . . . . ?
C17 C9 C14 C13 -179.6(5) . . . . ?
C10 C9 C14 C13 0.8(8) . . . . ?
C12 C13 C14 C9 -1.6(10) . . . . ?
N1 C21 C22 C23 -1.8(11) . . . . ?
C21 C22 C23 C24 -1.9(11) . . . . ?
C21 C22 C23 C26 180.0(7) . . . . ?
C22 C23 C24 C25 3.3(13) . . . . ?
C26 C23 C24 C25 -178.6(8) . . . . ?
C23 C24 C25 N1 -1.3(15) . . . . ?
C22 C23 C26 C27 -145.7(9) . . . . ?
C24 C23 C26 C27 36.3(13) . . . . ?
C23 C26 C27 C30 177.4(7) . . . . ?
N2 C28 C29 C30 -1.8(11) . . . . ?
C28 C29 C30 C31 1.9(9) . . . . ?
C28 C29 C30 C27 -176.6(6) . . . . ?
C26 C27 C30 C29 -86.2(10) . . . . ?
C26 C27 C30 C31 95.4(10) . . . . ?
C29 C30 C31 C32 -1.8(9) . . . . ?
C27 C30 C31 C32 176.6(6) . . . . ?
C30 C31 C32 N2 1.7(10) . . . . ?
C24 C25 N1 C21 -2.3(13) . . . . ?
C22 C21 N1 C25 3.8(11) . . . . ?
C29 C28 N2 C32 1.5(10) . . . . ?
C31 C32 N2 C28 -1.5(9) . . . . ?
