#------------------------------------------------------------------------------
#$Date: 2020-09-06 11:37:58 +0300 (Sun, 06 Sep 2020) $
#$Revision: 256027 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/69/7126924.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_7126924
loop_
_publ_author_name
'Torita, Koki'
'Haraguchi, Ryosuke'
'Morita, Yoshitsugu'
'Kemmochi, Satoshi'
'Komatsu, Teruyuki'
'Fukuzawa, Shin-Ichi'
_publ_section_title
;
 Lewis acid-base synergistic catalysis of cationic halogen-bonding-donors
 with nucleophilic counter anions.
;
_journal_issue                   67
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9715
_journal_page_last               9718
_journal_paper_doi               10.1039/d0cc04013d
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C35 H41 F3 I2 N4'
_chemical_formula_weight         828.52
_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
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-03-23 deposited with the CCDC.	2020-07-15 downloaded from the CCDC.
;
_cell_angle_alpha                108.3165(14)
_cell_angle_beta                 109.0569(11)
_cell_angle_gamma                101.581(3)
_cell_formula_units_Z            2
_cell_length_a                   10.694(2)
_cell_length_b                   14.115(3)
_cell_length_c                   14.216(3)
_cell_measurement_reflns_used    4934
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      30.99
_cell_measurement_theta_min      2.54
_cell_volume                     1812.1(6)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_unetI/netI     0.0545
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14824
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.471
_diffrn_reflns_theta_min         3.042
_exptl_absorpt_coefficient_mu    1.779
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_description       prism
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.082
_refine_diff_density_min         -1.208
_refine_diff_density_rms         0.130
_refine_ls_extinction_coef       0.0152(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         7990
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0311
_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)+(0.0466P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0868
_refine_ls_wR_factor_ref         0.0894
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    0.994
_reflns_Friedel_fraction_max     0.986
_reflns_number_gt                6053
_reflns_number_total             7990
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc04013d2.cif
_cod_data_source_block           ydkr
_cod_depositor_comments          'Adding full bibliography for 7126924.cif.'
_cod_original_cell_volume        1812.2(6)
_cod_database_code               7126924
_shelx_shelxl_version_number     2014/7
_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   0.740
_shelx_estimated_absorpt_t_max   0.842
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
I1 I 0.18973(2) 0.47754(2) 0.01710(2) 0.01251(8) Uani 1 1 d . . . . .
I2 I -0.29090(2) 0.26884(2) -0.12280(2) 0.02194(8) Uani 1 1 d . . . . .
C37 C 0.2422(3) 0.0803(3) -0.2493(3) 0.0146(7) Uani 1 1 d . . . . .
H1 H 0.2544 0.1509 -0.1953 0.017 Uiso 1 1 calc R U . . .
N8 N 0.1062(3) 0.1463(2) -0.0597(2) 0.0122(6) Uani 1 1 d . . . . .
N7 N 0.0467(3) 0.1411(2) -0.1598(2) 0.0120(6) Uani 1 1 d . . . . .
F1 F -0.0616(3) 0.3688(2) -0.5667(2) 0.0578(9) Uani 1 1 d . . . . .
F2 F -0.2613(3) 0.2549(2) -0.62069(18) 0.0509(8) Uani 1 1 d . . . . .
N3 N 0.1557(3) 0.2508(2) 0.0032(2) 0.0107(5) Uani 1 1 d . . . . .
C3 C 0.4502(3) 0.3442(3) 0.2741(3) 0.0163(7) Uani 1 1 d . . . . .
H2 H 0.5491 0.3596 0.3057 0.020 Uiso 1 1 calc R U . . .
C4 C 0.0008(4) 0.2806(3) 0.1394(3) 0.0172(7) Uani 1 1 d . . . . .
H3 H -0.0331 0.2631 0.0595 0.021 Uiso 1 1 calc R U . . .
C5 C 0.0908(4) 0.3321(3) -0.2769(3) 0.0169(7) Uani 1 1 d . . . . .
H4 H 0.1868 0.3662 -0.2266 0.020 Uiso 1 1 calc R U . . .
C42 C 0.1291(3) 0.3103(2) -0.0542(3) 0.0121(6) Uani 1 1 d . . . . .
C7 C 0.2364(4) 0.3375(3) 0.2985(3) 0.0185(7) Uani 1 1 d . . . . .
H5 H 0.1904 0.3480 0.3460 0.022 Uiso 1 1 calc R U . . .
C8 C 0.2331(3) 0.2879(2) 0.1206(2) 0.0119(6) Uani 1 1 d . . . . .
C9 C -0.0042(3) 0.0393(2) -0.2522(3) 0.0136(7) Uani 1 1 d . . . . .
C10 C 0.0031(3) 0.2578(2) -0.2611(3) 0.0127(6) Uani 1 1 d . . . . .
C11 C 0.0901(4) 0.0136(3) -0.2957(3) 0.0157(7) Uani 1 1 d . . . . .
C12 C -0.1376(3) 0.2057(3) -0.3368(3) 0.0174(7) Uani 1 1 d . . . . .
H6 H -0.1980 0.1543 -0.3267 0.021 Uiso 1 1 calc R U . . .
C13 C 0.3787(3) 0.3087(2) 0.1609(3) 0.0136(7) Uani 1 1 d . . . . .
C14 C -0.1435(3) -0.0265(3) -0.2905(3) 0.0145(7) Uani 1 1 d . . . . .
C15 C 0.4587(3) 0.2946(3) 0.0897(3) 0.0165(7) Uani 1 1 d . . . . .
H7 H 0.3892 0.2652 0.0118 0.020 Uiso 1 1 calc R U . . .
C16 C -0.1863(4) -0.1232(3) -0.3785(3) 0.0188(7) Uani 1 1 d . . . . .
H8 H -0.2792 -0.1710 -0.4072 0.023 Uiso 1 1 calc R U . . .
C17 C 0.3803(4) 0.3574(3) 0.3410(3) 0.0177(7) Uani 1 1 d . . . . .
H9 H 0.4315 0.3806 0.4174 0.021 Uiso 1 1 calc R U . . .
C18 C 0.1581(3) 0.3020(3) 0.1856(3) 0.0140(7) Uani 1 1 d . . . . .
C19 C -0.0994(4) 0.3067(3) -0.4393(3) 0.0176(7) Uani 1 1 d . . . . .
C20 C -0.0764(4) 0.1861(3) 0.1525(3) 0.0275(9) Uani 1 1 d . . . . .
H10 H -0.0507 0.1247 0.1206 0.041 Uiso 1 1 calc R U . . .
H11 H -0.1780 0.1693 0.1151 0.041 Uiso 1 1 calc R U . . .
H12 H -0.0501 0.2032 0.2302 0.041 Uiso 1 1 calc R U . . .
C21 C 0.0388(4) -0.0845(3) -0.3851(3) 0.0209(8) Uani 1 1 d . . . . .
H13 H 0.0988 -0.1050 -0.4182 0.025 Uiso 1 1 calc R U . . .
C22 C 0.5613(4) 0.4013(3) 0.1158(3) 0.0304(9) Uani 1 1 d . . . . .
H14 H 0.5092 0.4489 0.1024 0.046 Uiso 1 1 calc R U . . .
H15 H 0.6120 0.3909 0.0692 0.046 Uiso 1 1 calc R U . . .
H16 H 0.6286 0.4326 0.1925 0.046 Uiso 1 1 calc R U . . .
C23 C -0.0963(4) -0.1515(3) -0.4256(3) 0.0204(8) Uani 1 1 d . . . . .
H17 H -0.1288 -0.2177 -0.4861 0.025 Uiso 1 1 calc R U . . .
C24 C -0.0327(4) 0.3799(3) 0.1923(3) 0.0241(8) Uani 1 1 d . . . . .
H18 H -0.0078 0.3952 0.2696 0.036 Uiso 1 1 calc R U . . .
H19 H -0.1333 0.3671 0.1551 0.036 Uiso 1 1 calc R U . . .
H20 H 0.0217 0.4404 0.1860 0.036 Uiso 1 1 calc R U . . .
C25 C -0.1883(4) 0.2294(3) -0.4260(3) 0.0195(7) Uani 1 1 d . . . . .
H21 H -0.2831 0.1934 -0.4782 0.023 Uiso 1 1 calc R U . . .
C26 C 0.5377(4) 0.2175(3) 0.1024(3) 0.0255(8) Uani 1 1 d . . . . .
H22 H 0.6086 0.2459 0.1777 0.038 Uiso 1 1 calc R U . . .
H23 H 0.5839 0.2079 0.0525 0.038 Uiso 1 1 calc R U . . .
H24 H 0.4713 0.1490 0.0852 0.038 Uiso 1 1 calc R U . . .
C27 C -0.2396(4) 0.0041(3) -0.2373(3) 0.0173(7) Uani 1 1 d . . . . .
H25 H -0.2078 0.0833 -0.2027 0.021 Uiso 1 1 calc R U . . .
C28 C -0.1579(4) 0.3353(3) -0.5337(3) 0.0281(9) Uani 1 1 d . . . . .
C29 C -0.2258(4) -0.0349(3) -0.1459(3) 0.0265(9) Uani 1 1 d . . . . .
H26 H -0.2612 -0.1126 -0.1778 0.040 Uiso 1 1 calc R U . . .
H27 H -0.2806 -0.0079 -0.1072 0.040 Uiso 1 1 calc R U . . .
H28 H -0.1267 -0.0091 -0.0946 0.040 Uiso 1 1 calc R U . . .
C30 C -0.3933(4) -0.0353(3) -0.3183(4) 0.0322(10) Uani 1 1 d . . . . .
H29 H -0.4003 -0.0107 -0.3765 0.048 Uiso 1 1 calc R U . . .
H30 H -0.4486 -0.0076 -0.2805 0.048 Uiso 1 1 calc R U . . .
H31 H -0.4296 -0.1130 -0.3500 0.048 Uiso 1 1 calc R U . . .
C32 C 0.3363(4) 0.0334(3) -0.1871(3) 0.0283(9) Uani 1 1 d . . . . .
H32 H 0.3092 0.0263 -0.1294 0.042 Uiso 1 1 calc R U . . .
H33 H 0.4343 0.0801 -0.1543 0.042 Uiso 1 1 calc R U . . .
H34 H 0.3264 -0.0366 -0.2371 0.042 Uiso 1 1 calc R U . . .
C33 C 0.0390(4) 0.3572(3) -0.3662(3) 0.0194(7) Uani 1 1 d . . . . .
H35 H 0.0990 0.4088 -0.3764 0.023 Uiso 1 1 calc R U . . .
C34 C 0.2861(4) 0.1008(4) -0.3354(3) 0.0345(10) Uani 1 1 d . . . . .
H36 H 0.2764 0.0333 -0.3899 0.052 Uiso 1 1 calc R U . . .
H37 H 0.3843 0.1477 -0.3002 0.052 Uiso 1 1 calc R U . . .
H38 H 0.2259 0.1344 -0.3713 0.052 Uiso 1 1 calc R U . . .
C43 C 0.0575(3) 0.2388(2) -0.1622(3) 0.0119(6) Uani 1 1 d . . . . .
F3 F -0.2117(3) 0.4127(2) -0.5096(2) 0.0456(7) Uani 1 1 d . . . . .
C39 C 0.5505(5) 0.6139(3) 0.3721(3) 0.0359(11) Uani 1 1 d . . . . .
N6 N 0.6581(5) 0.6112(3) 0.3951(4) 0.0581(13) Uani 1 1 d . . . . .
C38 C 0.4060(6) 0.6167(4) 0.3429(4) 0.0515(13) Uani 1 1 d . . . . .
H39 H 0.3390 0.5441 0.3053 0.077 Uiso 1 1 calc R U . . .
H40 H 0.3873 0.6537 0.2946 0.077 Uiso 1 1 calc R U . . .
H41 H 0.3957 0.6543 0.4092 0.077 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
C11 C37 C32 110.9(3) . . ?
C11 C37 C34 112.9(3) . . ?
C32 C37 C34 111.9(3) . . ?
N7 N8 N3 103.3(2) . . ?
N8 N7 C43 113.1(3) . . ?
N8 N7 C9 118.9(3) . . ?
C43 N7 C9 127.5(3) . . ?
N8 N3 C42 113.4(3) . . ?
N8 N3 C8 119.1(2) . . ?
C42 N3 C8 127.5(3) . . ?
C17 C3 C13 121.5(3) . . ?
C18 C4 C20 111.2(3) . . ?
C18 C4 C24 110.9(3) . . ?
C20 C4 C24 111.0(3) . . ?
C10 C5 C33 120.4(3) . . ?
N3 C42 C43 105.4(3) . . ?
N3 C42 I1 124.0(2) . . ?
C43 C42 I1 130.6(2) . . ?
C17 C7 C18 120.4(3) . . ?
C18 C8 C13 124.6(3) . . ?
C18 C8 N3 118.1(3) . . ?
C13 C8 N3 117.3(3) . . ?
C11 C9 C14 124.6(3) . . ?
C11 C9 N7 117.2(3) . . ?
C14 C9 N7 118.2(3) . . ?
C5 C10 C12 119.8(3) . . ?
C5 C10 C43 119.2(3) . . ?
C12 C10 C43 120.9(3) . . ?
C9 C11 C21 116.4(3) . . ?
C9 C11 C37 124.5(3) . . ?
C21 C11 C37 119.0(3) . . ?
C25 C12 C10 119.8(3) . . ?
C3 C13 C8 115.9(3) . . ?
C3 C13 C15 120.2(3) . . ?
C8 C13 C15 123.9(3) . . ?
C16 C14 C9 115.7(3) . . ?
C16 C14 C27 122.1(3) . . ?
C9 C14 C27 122.2(3) . . ?
C26 C15 C13 112.1(3) . . ?
C26 C15 C22 109.8(3) . . ?
C13 C15 C22 110.5(3) . . ?
C14 C16 C23 121.7(3) . . ?
C3 C17 C7 121.1(3) . . ?
C8 C18 C7 116.5(3) . . ?
C8 C18 C4 123.2(3) . . ?
C7 C18 C4 120.3(3) . . ?
C33 C19 C25 120.8(3) . . ?
C33 C19 C28 120.1(3) . . ?
C25 C19 C28 119.1(3) . . ?
C23 C21 C11 121.2(3) . . ?
C21 C23 C16 120.4(3) . . ?
C12 C25 C19 119.8(3) . . ?
C14 C27 C30 113.2(3) . . ?
C14 C27 C29 110.5(3) . . ?
C30 C27 C29 110.4(3) . . ?
F2 C28 F1 106.2(3) . . ?
F2 C28 F3 105.6(3) . . ?
F1 C28 F3 106.4(3) . . ?
F2 C28 C19 113.1(3) . . ?
F1 C28 C19 112.6(3) . . ?
F3 C28 C19 112.3(3) . . ?
C19 C33 C5 119.5(3) . . ?
N7 C43 C42 104.9(3) . . ?
N7 C43 C10 125.4(3) . . ?
C42 C43 C10 129.8(3) . . ?
N6 C39 C38 179.0(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
I1 C42 2.116(3) . ?
C37 C11 1.504(4) . ?
C37 C32 1.513(5) . ?
C37 C34 1.532(5) . ?
N8 N7 1.326(4) . ?
N8 N3 1.344(4) . ?
N7 C43 1.373(4) . ?
N7 C9 1.455(4) . ?
F1 C28 1.328(4) . ?
F2 C28 1.328(4) . ?
N3 C42 1.351(4) . ?
N3 C8 1.456(4) . ?
C3 C17 1.381(5) . ?
C3 C13 1.401(5) . ?
C4 C18 1.518(5) . ?
C4 C20 1.520(5) . ?
C4 C24 1.540(5) . ?
C5 C10 1.386(5) . ?
C5 C33 1.396(5) . ?
C42 C43 1.382(4) . ?
C7 C17 1.387(5) . ?
C7 C18 1.406(5) . ?
C8 C18 1.403(4) . ?
C8 C13 1.403(4) . ?
C9 C11 1.395(4) . ?
C9 C14 1.405(4) . ?
C10 C12 1.401(4) . ?
C10 C43 1.467(4) . ?
C11 C21 1.403(5) . ?
C12 C25 1.380(5) . ?
C13 C15 1.517(4) . ?
C14 C16 1.393(5) . ?
C14 C27 1.516(5) . ?
C15 C26 1.525(5) . ?
C15 C22 1.527(5) . ?
C16 C23 1.392(5) . ?
C19 C33 1.372(5) . ?
C19 C25 1.400(5) . ?
C19 C28 1.499(5) . ?
C21 C23 1.371(5) . ?
C27 C30 1.527(5) . ?
C27 C29 1.540(5) . ?
C28 F3 1.337(4) . ?
C39 N6 1.102(6) . ?
C39 C38 1.475(7) . ?
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 N8 N7 C43 0.3(3) . . . . ?
N3 N8 N7 C9 172.6(3) . . . . ?
N7 N8 N3 C42 -0.1(3) . . . . ?
N7 N8 N3 C8 -178.1(3) . . . . ?
N8 N3 C42 C43 -0.2(4) . . . . ?
C8 N3 C42 C43 177.7(3) . . . . ?
N8 N3 C42 I1 179.5(2) . . . . ?
C8 N3 C42 I1 -2.6(5) . . . . ?
N8 N3 C8 C18 -92.7(4) . . . . ?
C42 N3 C8 C18 89.5(4) . . . . ?
N8 N3 C8 C13 88.2(4) . . . . ?
C42 N3 C8 C13 -89.5(4) . . . . ?
N8 N7 C9 C11 -89.6(4) . . . . ?
C43 N7 C9 C11 81.5(4) . . . . ?
N8 N7 C9 C14 89.7(4) . . . . ?
C43 N7 C9 C14 -99.3(4) . . . . ?
C33 C5 C10 C12 1.5(5) . . . . ?
C33 C5 C10 C43 -175.4(3) . . . . ?
C14 C9 C11 C21 1.1(5) . . . . ?
N7 C9 C11 C21 -179.7(3) . . . . ?
C14 C9 C11 C37 -175.0(3) . . . . ?
N7 C9 C11 C37 4.2(5) . . . . ?
C32 C37 C11 C9 103.2(4) . . . . ?
C34 C37 C11 C9 -130.2(4) . . . . ?
C32 C37 C11 C21 -72.8(4) . . . . ?
C34 C37 C11 C21 53.8(4) . . . . ?
C5 C10 C12 C25 -0.5(5) . . . . ?
C43 C10 C12 C25 176.3(3) . . . . ?
C17 C3 C13 C8 0.1(5) . . . . ?
C17 C3 C13 C15 -179.8(3) . . . . ?
C18 C8 C13 C3 1.0(5) . . . . ?
N3 C8 C13 C3 -180.0(3) . . . . ?
C18 C8 C13 C15 -179.1(3) . . . . ?
N3 C8 C13 C15 -0.1(5) . . . . ?
C11 C9 C14 C16 -0.3(5) . . . . ?
N7 C9 C14 C16 -179.5(3) . . . . ?
C11 C9 C14 C27 177.8(3) . . . . ?
N7 C9 C14 C27 -1.4(5) . . . . ?
C3 C13 C15 C26 57.9(4) . . . . ?
C8 C13 C15 C26 -122.0(4) . . . . ?
C3 C13 C15 C22 -64.9(4) . . . . ?
C8 C13 C15 C22 115.2(4) . . . . ?
C9 C14 C16 C23 -0.6(5) . . . . ?
C27 C14 C16 C23 -178.8(3) . . . . ?
C13 C3 C17 C7 -1.0(5) . . . . ?
C18 C7 C17 C3 0.8(5) . . . . ?
C13 C8 C18 C7 -1.2(5) . . . . ?
N3 C8 C18 C7 179.8(3) . . . . ?
C13 C8 C18 C4 178.9(3) . . . . ?
N3 C8 C18 C4 -0.1(5) . . . . ?
C17 C7 C18 C8 0.3(5) . . . . ?
C17 C7 C18 C4 -179.8(3) . . . . ?
C20 C4 C18 C8 112.5(4) . . . . ?
C24 C4 C18 C8 -123.4(3) . . . . ?
C20 C4 C18 C7 -67.4(4) . . . . ?
C24 C4 C18 C7 56.7(4) . . . . ?
C9 C11 C21 C23 -1.0(5) . . . . ?
C37 C11 C21 C23 175.4(3) . . . . ?
C11 C21 C23 C16 0.1(5) . . . . ?
C14 C16 C23 C21 0.7(5) . . . . ?
C10 C12 C25 C19 -1.1(5) . . . . ?
C33 C19 C25 C12 1.9(5) . . . . ?
C28 C19 C25 C12 -177.1(3) . . . . ?
C16 C14 C27 C30 -35.9(5) . . . . ?
C9 C14 C27 C30 146.1(3) . . . . ?
C16 C14 C27 C29 88.5(4) . . . . ?
C9 C14 C27 C29 -89.5(4) . . . . ?
C33 C19 C28 F2 150.0(3) . . . . ?
C25 C19 C28 F2 -31.0(5) . . . . ?
C33 C19 C28 F1 29.5(5) . . . . ?
C25 C19 C28 F1 -151.5(3) . . . . ?
C33 C19 C28 F3 -90.6(4) . . . . ?
C25 C19 C28 F3 88.4(4) . . . . ?
C25 C19 C33 C5 -0.9(5) . . . . ?
C28 C19 C33 C5 178.0(3) . . . . ?
C10 C5 C33 C19 -0.8(5) . . . . ?
N8 N7 C43 C42 -0.4(4) . . . . ?
C9 N7 C43 C42 -171.9(3) . . . . ?
N8 N7 C43 C10 179.3(3) . . . . ?
C9 N7 C43 C10 7.8(5) . . . . ?
N3 C42 C43 N7 0.3(3) . . . . ?
I1 C42 C43 N7 -179.4(2) . . . . ?
N3 C42 C43 C10 -179.4(3) . . . . ?
I1 C42 C43 C10 0.9(5) . . . . ?
C5 C10 C43 N7 -129.9(3) . . . . ?
C12 C10 C43 N7 53.2(5) . . . . ?
C5 C10 C43 C42 49.7(5) . . . . ?
C12 C10 C43 C42 -127.2(4) . . . . ?
