#------------------------------------------------------------------------------
#$Date: 2022-05-05 23:19:02 +0300 (Thu, 05 May 2022) $
#$Revision: 274942 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/99/7129916.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_7129916
loop_
_publ_author_name
'Kusumoto, Sotaro'
'Suzuki, Ryo'
'Tachibana, Masaru'
'Sekine, Yoshihiro'
'Kim, Yang'
'Hayami, Shinya'
_publ_section_title
;
 Recrystallization solvent-dependent elastic/plastic flexibility of an
 n-dodecyl-substituted tetrachlorophthalimide.
;
_journal_issue                   35
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5411
_journal_page_last               5414
_journal_paper_doi               10.1039/d2cc00663d
_journal_volume                  58
_journal_year                    2022
_chemical_formula_moiety         'C20 H25 Cl4 N O2'
_chemical_formula_sum            'C20 H25 Cl4 N O2'
_chemical_formula_weight         453.21
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2022-03-07
_audit_creation_method
;
Olex2 1.5-ac5-020
(compiled 2021.11.16 svn.r5db059d7 for Rigaku Oxford Diffraction, GUI svn.r6430)
;
_audit_update_record
;
2022-03-07 deposited with the CCDC.	2022-03-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.695(5)
_cell_angle_beta                 90.006(6)
_cell_angle_gamma                105.259(6)
_cell_formula_units_Z            2
_cell_length_a                   4.9963(4)
_cell_length_b                   5.9993(4)
_cell_length_c                   36.274(2)
_cell_measurement_reflns_used    2735
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.6160
_cell_measurement_theta_min      3.4810
_cell_volume                     1048.87(13)
_computing_cell_refinement       'CrysAlisPro 1.171.40.15 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.15 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.15 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5-ac5-020 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac5-020 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -94.00 -46.00   0.50    4.00    --  -10.50  45.00  90.00   96
  2  ω    -20.00  37.00   0.50    4.00    --  -10.50  45.00  90.00  114
  3  ω    -88.00  77.00   0.50    4.00    --  -10.50  45.00 150.00  330
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_Laue_measured_fraction_full 0.945
_diffrn_reflns_Laue_measured_fraction_max 0.945
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            7278
_diffrn_reflns_point_group_measured_fraction_full 0.945
_diffrn_reflns_point_group_measured_fraction_max 0.945
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.348
_diffrn_reflns_theta_min         2.246
_exptl_absorpt_coefficient_mu    0.580
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.882
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.15 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_description       plate
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.259
_exptl_crystal_size_mid          0.087
_exptl_crystal_size_min          0.029
_refine_diff_density_max         1.234
_refine_diff_density_min         -0.671
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.240
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     215
_refine_ls_number_reflns         3598
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.234
_refine_ls_R_factor_all          0.0915
_refine_ls_R_factor_gt           0.0844
_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)+(0.0653P)²+8.6723P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2228
_refine_ls_wR_factor_ref         0.2257
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3176
_reflns_number_total             3598
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc00663d4.cif
_cod_data_source_block           kusumoto200219tetraclc12
_cod_depositor_comments
'Adding full bibliography for 7129915--7129916.cif.'
_cod_database_code               7129916
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C5) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C2) \\sim
Ueq, Uanis(C1) \\sim Ueq, Uanis(C6) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(C1) = Uanis(C6) = Uanis(C5) = Uanis(C4) = Uanis(C3) = Uanis(C2)
3.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C9(H9A,H9B), C11(H11A,H11B), C14(H14A,H14B), C12(H12A,H12B),
 C13(H13A,H13B), C16(H16A,H16B), C15(H15A,H15B), C18(H18A,H18B), C17(H17A,H17B),
  C19(H19A,H19B)
3.b Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 1.1419(3) 0.9541(2) 0.57529(4) 0.0145(4) Uani 1 1 d . . . . .
Cl2 Cl 0.8402(3) 1.2017(2) 0.51947(4) 0.0164(4) Uani 1 1 d . . . . .
Cl4 Cl 0.4878(3) 1.6457(2) 0.63191(4) 0.0163(4) Uani 1 1 d . . . . .
Cl3 Cl 0.5276(3) 1.5528(2) 0.54744(4) 0.0154(4) Uani 1 1 d . . . . .
O1 O 1.1965(9) 0.9589(8) 0.66165(13) 0.0227(11) Uani 1 1 d . . . . .
O2 O 0.6706(10) 1.4258(8) 0.70283(13) 0.0238(11) Uani 1 1 d . . . . .
N1 N 0.9553(11) 1.1872(10) 0.69082(15) 0.0196(12) Uani 1 1 d . . . . .
C2 C 0.8296(11) 1.2584(10) 0.56521(17) 0.0128(6) Uani 1 1 d . U . . .
C1 C 0.9592(11) 1.1429(10) 0.59090(17) 0.0128(6) Uani 1 1 d . U . . .
C5 C 0.7848(11) 1.3349(10) 0.64048(17) 0.0128(6) Uani 1 1 d . U . . .
C6 C 0.9371(11) 1.1843(10) 0.62730(18) 0.0128(6) Uani 1 1 d . U . . .
C4 C 0.6636(11) 1.4543(10) 0.61585(18) 0.0128(6) Uani 1 1 d . U . . .
C3 C 0.6857(11) 1.4156(10) 0.57875(17) 0.0128(6) Uani 1 1 d . U . . .
C8 C 0.7876(13) 1.3300(11) 0.68138(19) 0.0186(14) Uani 1 1 d . . . . .
C7 C 1.0483(13) 1.0900(11) 0.66059(18) 0.0181(13) Uani 1 1 d . . . . .
C10 C 0.7707(14) 0.9402(12) 0.74342(19) 0.0215(14) Uani 1 1 d . . . . .
H10A H 0.707733 0.820476 0.724005 0.026 Uiso 1 1 calc R U . . .
H10B H 0.613115 1.005180 0.749523 0.026 Uiso 1 1 calc R U . . .
C9 C 1.0057(14) 1.1297(12) 0.72859(18) 0.0220(15) Uani 1 1 d . . . . .
H9A H 1.030675 1.269316 0.744429 0.026 Uiso 1 1 calc R U . . .
H9B H 1.179410 1.079971 0.729570 0.026 Uiso 1 1 calc R U . . .
C11 C 0.8515(15) 0.8279(13) 0.7776(2) 0.0267(16) Uani 1 1 d . . . . .
H11A H 1.018815 0.774686 0.772085 0.032 Uiso 1 1 calc R U . . .
H11B H 0.899906 0.945201 0.797664 0.032 Uiso 1 1 calc R U . . .
C14 C 0.4938(15) 0.2862(13) 0.8345(2) 0.0275(16) Uani 1 1 d . . . . .
H14A H 0.446683 0.178416 0.813157 0.033 Uiso 1 1 calc R U . . .
H14B H 0.324458 0.332820 0.841398 0.033 Uiso 1 1 calc R U . . .
C12 C 0.6249(14) 0.6254(13) 0.79091(19) 0.0243(15) Uani 1 1 d . . . . .
H12A H 0.563641 0.515447 0.770109 0.029 Uiso 1 1 calc R U . . .
H12B H 0.464111 0.681669 0.798734 0.029 Uiso 1 1 calc R U . . .
C13 C 0.7135(14) 0.4974(13) 0.8230(2) 0.0279(16) Uani 1 1 d . . . . .
H13A H 0.882179 0.450629 0.815753 0.033 Uiso 1 1 calc R U . . .
H13B H 0.762253 0.604517 0.844359 0.033 Uiso 1 1 calc R U . . .
C16 C 0.3626(16) -0.0523(14) 0.8784(2) 0.0309(17) Uani 1 1 d . . . . .
H16A H 0.316915 -0.160428 0.857135 0.037 Uiso 1 1 calc R U . . .
H16B H 0.192376 -0.006341 0.885123 0.037 Uiso 1 1 calc R U . . .
C15 C 0.5802(15) 0.1590(14) 0.8668(2) 0.0321(18) Uani 1 1 d . . . . .
H15A H 0.750078 0.113017 0.859946 0.039 Uiso 1 1 calc R U . . .
H15B H 0.627003 0.266820 0.888175 0.039 Uiso 1 1 calc R U . . .
C18 C 0.2312(16) -0.3914(14) 0.9229(2) 0.0322(17) Uani 1 1 d . . . . .
H18A H 0.182265 -0.499174 0.901572 0.039 Uiso 1 1 calc R U . . .
H18B H 0.061883 -0.346129 0.930238 0.039 Uiso 1 1 calc R U . . .
C17 C 0.4465(16) -0.1796(15) 0.9110(2) 0.0343(18) Uani 1 1 d . . . . .
H17A H 0.617111 -0.224867 0.904241 0.041 Uiso 1 1 calc R U . . .
H17B H 0.492390 -0.071024 0.932211 0.041 Uiso 1 1 calc R U . . .
C20 C 0.1077(19) -0.7310(16) 0.9666(2) 0.043(2) Uani 1 1 d . . . . .
H20A H 0.059878 -0.839927 0.945747 0.065 Uiso 1 1 calc R U . . .
H20B H -0.059068 -0.688898 0.975010 0.065 Uiso 1 1 calc R U . . .
H20C H 0.182994 -0.803432 0.986765 0.065 Uiso 1 1 calc R U . . .
C19 C 0.3213(18) -0.5174(15) 0.9546(2) 0.0390(19) Uani 1 1 d . . . . .
H19A H 0.491583 -0.561357 0.947303 0.047 Uiso 1 1 calc R U . . .
H19B H 0.369003 -0.409796 0.975949 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 0.0033 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'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
7 -2 -1 0.3067
0 1 -51 0.0225
-7 3 1 0.2475
0 -1 51 0.0060
-1 -7 -22 0.0375
0 7 22 0.0361
7 -3 0 0.2569
7 -3 -1 0.0045
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
C8 N1 C9 123.7(5) . . ?
C7 N1 C8 112.7(5) . . ?
C7 N1 C9 123.3(5) . . ?
C1 C2 Cl2 120.5(4) . . ?
C3 C2 Cl2 121.0(5) . . ?
C3 C2 C1 118.6(6) . . ?
C2 C1 Cl1 119.8(5) . . ?
C6 C1 Cl1 121.1(4) . . ?
C6 C1 C2 119.1(5) . . ?
C6 C5 C8 108.1(5) . . ?
C4 C5 C6 120.0(6) . . ?
C4 C5 C8 131.9(5) . . ?
C1 C6 C5 121.8(5) . . ?
C1 C6 C7 131.4(5) . . ?
C5 C6 C7 106.8(5) . . ?
C5 C4 Cl4 120.0(5) . . ?
C3 C4 Cl4 121.1(4) . . ?
C3 C4 C5 118.9(5) . . ?
C2 C3 Cl3 118.2(5) . . ?
C4 C3 Cl3 120.2(4) . . ?
C4 C3 C2 121.6(5) . . ?
O2 C8 N1 125.4(6) . . ?
O2 C8 C5 128.6(6) . . ?
N1 C8 C5 106.0(5) . . ?
O1 C7 N1 125.1(6) . . ?
O1 C7 C6 128.5(6) . . ?
N1 C7 C6 106.3(5) . . ?
H10A C10 H10B 107.8 . . ?
C9 C10 H10A 109.0 . . ?
C9 C10 H10B 109.0 . . ?
C9 C10 C11 112.9(6) . . ?
C11 C10 H10A 109.0 . . ?
C11 C10 H10B 109.0 . . ?
N1 C9 C10 112.1(6) . . ?
N1 C9 H9A 109.2 . . ?
N1 C9 H9B 109.2 . . ?
C10 C9 H9A 109.2 . . ?
C10 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C10 C11 H11A 108.9 . . ?
C10 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C12 C11 C10 113.3(6) . . ?
C12 C11 H11A 108.9 . . ?
C12 C11 H11B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
C13 C14 H14A 108.8 . . ?
C13 C14 H14B 108.8 . . ?
C13 C14 C15 113.8(6) . . ?
C15 C14 H14A 108.8 . . ?
C15 C14 H14B 108.8 . . ?
C11 C12 H12A 108.8 . . ?
C11 C12 H12B 108.8 . . ?
C11 C12 C13 113.7(6) . . ?
H12A C12 H12B 107.7 . . ?
C13 C12 H12A 108.8 . . ?
C13 C12 H12B 108.8 . . ?
C14 C13 C12 113.6(6) . . ?
C14 C13 H13A 108.8 . . ?
C14 C13 H13B 108.8 . . ?
C12 C13 H13A 108.8 . . ?
C12 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
H16A C16 H16B 107.6 . . ?
C15 C16 H16A 108.6 . . ?
C15 C16 H16B 108.6 . . ?
C15 C16 C17 114.5(7) . . ?
C17 C16 H16A 108.6 . . ?
C17 C16 H16B 108.6 . . ?
C14 C15 H15A 108.7 . . ?
C14 C15 H15B 108.7 . . ?
C16 C15 C14 114.1(6) . . ?
C16 C15 H15A 108.7 . . ?
C16 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
H18A C18 H18B 107.6 . . ?
C17 C18 H18A 108.7 . . ?
C17 C18 H18B 108.7 . . ?
C17 C18 C19 114.2(7) . . ?
C19 C18 H18A 108.7 . . ?
C19 C18 H18B 108.7 . . ?
C16 C17 H17A 108.5 . . ?
C16 C17 H17B 108.5 . . ?
C18 C17 C16 115.2(7) . . ?
C18 C17 H17A 108.5 . . ?
C18 C17 H17B 108.5 . . ?
H17A C17 H17B 107.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
C18 C19 H19A 108.6 . . ?
C18 C19 H19B 108.6 . . ?
C20 C19 C18 114.6(7) . . ?
C20 C19 H19A 108.6 . . ?
C20 C19 H19B 108.6 . . ?
H19A C19 H19B 107.6 . . ?
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 C1 1.722(6) . ?
Cl2 C2 1.693(6) . ?
Cl4 C4 1.715(6) . ?
Cl3 C3 1.720(6) . ?
O1 C7 1.215(7) . ?
O2 C8 1.201(8) . ?
N1 C8 1.392(8) . ?
N1 C7 1.373(8) . ?
N1 C9 1.455(8) . ?
C2 C1 1.421(8) . ?
C2 C3 1.412(8) . ?
C1 C6 1.351(9) . ?
C5 C6 1.405(8) . ?
C5 C4 1.386(8) . ?
C5 C8 1.484(9) . ?
C6 C7 1.506(9) . ?
C4 C3 1.372(9) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C9 1.508(10) . ?
C10 C11 1.523(9) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.510(10) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C13 1.505(10) . ?
C14 C15 1.530(10) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.529(9) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C15 1.501(11) . ?
C16 C17 1.530(10) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C17 1.501(11) . ?
C18 C19 1.516(10) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C20 C19 1.504(12) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
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
Cl1 C1 C6 C5 -178.9(5) . . . . ?
Cl1 C1 C6 C7 -0.4(9) . . . . ?
Cl2 C2 C1 Cl1 3.0(7) . . . . ?
Cl2 C2 C1 C6 -177.2(4) . . . . ?
Cl2 C2 C3 Cl3 -1.4(7) . . . . ?
Cl2 C2 C3 C4 176.6(4) . . . . ?
Cl4 C4 C3 Cl3 -1.9(7) . . . . ?
Cl4 C4 C3 C2 -179.9(4) . . . . ?
C2 C1 C6 C5 1.3(9) . . . . ?
C2 C1 C6 C7 179.8(6) . . . . ?
C1 C2 C3 Cl3 -179.5(4) . . . . ?
C1 C2 C3 C4 -1.5(8) . . . . ?
C1 C6 C7 O1 3.5(11) . . . . ?
C1 C6 C7 N1 -178.2(6) . . . . ?
C5 C6 C7 O1 -177.9(7) . . . . ?
C5 C6 C7 N1 0.4(7) . . . . ?
C5 C4 C3 Cl3 177.7(4) . . . . ?
C5 C4 C3 C2 -0.3(8) . . . . ?
C6 C5 C4 Cl4 -177.7(4) . . . . ?
C6 C5 C4 C3 2.6(8) . . . . ?
C6 C5 C8 O2 -176.1(7) . . . . ?
C6 C5 C8 N1 3.4(7) . . . . ?
C4 C5 C6 C1 -3.2(9) . . . . ?
C4 C5 C6 C7 178.0(5) . . . . ?
C4 C5 C8 O2 3.5(12) . . . . ?
C4 C5 C8 N1 -177.0(6) . . . . ?
C3 C2 C1 Cl1 -178.8(4) . . . . ?
C3 C2 C1 C6 1.0(8) . . . . ?
C8 N1 C7 O1 -179.8(6) . . . . ?
C8 N1 C7 C6 1.9(7) . . . . ?
C8 N1 C9 C10 80.5(8) . . . . ?
C8 C5 C6 C1 176.5(5) . . . . ?
C8 C5 C6 C7 -2.3(7) . . . . ?
C8 C5 C4 Cl4 2.7(9) . . . . ?
C8 C5 C4 C3 -176.9(6) . . . . ?
C7 N1 C8 O2 176.2(7) . . . . ?
C7 N1 C8 C5 -3.3(7) . . . . ?
C7 N1 C9 C10 -93.5(7) . . . . ?
C10 C11 C12 C13 174.5(6) . . . . ?
C9 N1 C8 O2 1.7(11) . . . . ?
C9 N1 C8 C5 -177.9(6) . . . . ?
C9 N1 C7 O1 -5.2(11) . . . . ?
C9 N1 C7 C6 176.5(6) . . . . ?
C9 C10 C11 C12 -175.4(6) . . . . ?
C11 C10 C9 N1 162.9(5) . . . . ?
C11 C12 C13 C14 -176.1(6) . . . . ?
C13 C14 C15 C16 -179.8(6) . . . . ?
C15 C14 C13 C12 -179.3(6) . . . . ?
C15 C16 C17 C18 -180.0(7) . . . . ?
C17 C16 C15 C14 -179.6(7) . . . . ?
C17 C18 C19 C20 -179.6(7) . . . . ?
C19 C18 C17 C16 178.8(7) . . . . ?
