#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/50/7215077.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_7215077
loop_
_publ_author_name
'Silveira, Claudio C.'
'Mendes, Samuel R.'
'Villetti, Marcos A.'
'Back, Davi F.'
'Kaufman, Teodoro S.'
_publ_section_title
;
 CeIII-promoted oxidation. Efficient aerobic one-pot eco-friendly
 synthesis of oxidized bis(indol-3-yl)methanes and cyclic
 tetra(indolyl)dimethanes
;
_journal_issue                   10
_journal_name_full               'Green Chemistry'
_journal_page_first              2912
_journal_paper_doi               10.1039/c2gc36131k
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C28 H30 N2 O2 S2'
_chemical_formula_sum            'C28 H30 N2 O2 S2'
_chemical_formula_weight         490.66
_chemical_melting_point          ?
_chemical_name_common            'Tetra(indolyl)dimethane derivative'
_chemical_name_systematic
;
Tetra(indolyl)dimethane derivative 2 DMSO
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2012-04-19T12:23:06-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 113.4630(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.7040(5)
_cell_length_b                   12.3263(3)
_cell_length_c                   21.8634(5)
_cell_measurement_reflns_used    7340
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.64
_cell_measurement_theta_min      2.504
_cell_volume                     5118.3(2)
_computing_cell_refinement       'BRUKER SANT'
_computing_data_collection       'BRUKER APEX-II'
_computing_data_reduction        'BRUKER SOFTWARE'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 2000)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean none
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'X8 APEX II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            28314
_diffrn_reflns_theta_full        27.15
_diffrn_reflns_theta_max         27.15
_diffrn_reflns_theta_min         1.97
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.236
_exptl_absorpt_correction_T_max  0.9588
_exptl_absorpt_correction_T_min  0.9262
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   XPREP
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.542
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         5637
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0496
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
calc w=1/[σ²(Fo²)+(0.0784P)²+7.0671P] where
P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1351
_refine_ls_wR_factor_ref         0.1466
_reflns_number_gt                4421
_reflns_number_total             5637
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2gc36131k.txt
_cod_data_source_block           teste2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'none' was changed to '?' - the value
is undefined or not given.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_Hall     -C2yc
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7215077
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
S2 S 0.19490(3) 0.74766(5) 0.06371(3) 0.03579(17) Uani 1 1 d .
S1 S 0.09927(4) 0.04105(5) 0.95111(3) 0.03793(18) Uani 1 1 d .
N1 N 0.10091(9) 0.82258(13) 0.81333(8) 0.0205(4) Uani 1 1 d .
H01 H 0.1122 0.8481 0.8539 0.025 Uiso 1 1 calc R
O2 O 0.21594(9) 0.85977(14) 0.09296(10) 0.0417(4) Uani 1 1 d .
O1 O 0.13860(11) -0.03070(15) 0.92262(9) 0.0478(5) Uani 1 1 d .
C17 C 0.05244(10) 0.60447(14) 0.68509(9) 0.0160(4) Uani 1 1 d .
C8 C 0.08302(10) 0.71621(14) 0.79360(9) 0.0174(4) Uani 1 1 d .
N2 N 0.14392(9) 0.60276(13) 0.89251(8) 0.0215(4) Uani 1 1 d .
H02 H 0.1861 0.6256 0.8978 0.026 Uiso 1 1 calc R
C28 C 0.10225(15) 0.7515(2) 0.02030(15) 0.0462(7) Uani 1 1 d .
H28A H 0.09 0.7956 -0.0201 0.069 Uiso 1 1 calc R
H28B H 0.0811 0.7833 0.049 0.069 Uiso 1 1 calc R
H28C H 0.0844 0.6776 0.0079 0.069 Uiso 1 1 calc R
C24 C 0.22989(13) 0.23778(19) 0.82498(14) 0.0382(6) Uani 1 1 d .
H24A H 0.2791 0.2617 0.8437 0.057 Uiso 1 1 calc R
H24B H 0.2241 0.1782 0.7935 0.057 Uiso 1 1 calc R
H24C H 0.2168 0.2128 0.8611 0.057 Uiso 1 1 calc R
C21 C 0.18307(11) 0.33115(16) 0.78906(10) 0.0242(4) Uani 1 1 d .
C22 C 0.11040(11) 0.31965(16) 0.75788(10) 0.0225(4) Uani 1 1 d .
H22 H 0.0896 0.2516 0.7596 0.027 Uiso 1 1 calc R
C23 C 0.06747(10) 0.40597(15) 0.72421(9) 0.0184(4) Uani 1 1 d .
H23 H 0.018 0.3957 0.7026 0.022 Uiso 1 1 calc R
C18 C 0.09637(10) 0.50672(14) 0.72207(9) 0.0166(4) Uani 1 1 d .
C15 C 0.02566(10) 0.58447(14) 0.85016(9) 0.0159(4) Uani 1 1 d .
C16 C 0.08122(10) 0.63509(14) 0.84233(9) 0.0175(4) Uani 1 1 d .
C7 C 0.07056(10) 0.70527(14) 0.72752(9) 0.0161(4) Uani 1 1 d .
C19 C 0.16909(11) 0.51789(16) 0.75346(11) 0.0244(4) Uani 1 1 d .
H19 H 0.19 0.5861 0.7523 0.029 Uiso 1 1 calc R
C20 C 0.21167(11) 0.43207(17) 0.78632(11) 0.0269(5) Uani 1 1 d .
H20 H 0.2612 0.4422 0.8073 0.032 Uiso 1 1 calc R
C14 C 0.05643(10) 0.51573(14) 0.90793(9) 0.0172(4) Uani 1 1 d .
C9 C 0.12987(11) 0.52954(15) 0.93257(10) 0.0207(4) Uani 1 1 d .
C10 C 0.17572(12) 0.47957(18) 0.99134(11) 0.0285(5) Uani 1 1 d .
H10 H 0.2252 0.4908 1.0081 0.034 Uiso 1 1 calc R
C11 C 0.14574(13) 0.41333(19) 1.02370(11) 0.0323(5) Uani 1 1 d .
H11 H 0.1753 0.3779 1.0637 0.039 Uiso 1 1 calc R
C12 C 0.07298(13) 0.39685(17) 0.99931(11) 0.0290(5) Uani 1 1 d .
H12 H 0.0543 0.35 1.0227 0.035 Uiso 1 1 calc R
C13 C 0.02774(11) 0.44749(15) 0.94174(10) 0.0222(4) Uani 1 1 d .
H13 H -0.0217 0.4362 0.9255 0.027 Uiso 1 1 calc R
C1 C 0.09808(10) 0.88185(15) 0.75908(10) 0.0192(4) Uani 1 1 d .
C6 C 0.07895(10) 0.81088(14) 0.70429(9) 0.0170(4) Uani 1 1 d .
C5 C 0.07200(11) 0.85238(16) 0.64218(10) 0.0213(4) Uani 1 1 d .
H5 H 0.0582 0.8065 0.6042 0.026 Uiso 1 1 calc R
C4 C 0.08561(12) 0.96112(16) 0.63711(11) 0.0267(5) Uani 1 1 d .
H4 H 0.0811 0.9898 0.5953 0.032 Uiso 1 1 calc R
C3 C 0.10594(12) 1.02977(16) 0.69280(12) 0.0294(5) Uani 1 1 d .
H3 H 0.1157 1.1039 0.6882 0.035 Uiso 1 1 calc R
C2 C 0.11204(12) 0.99165(16) 0.75416(11) 0.0265(5) Uani 1 1 d .
H2 H 0.1253 1.0384 0.7917 0.032 Uiso 1 1 calc R
C27 C 0.19970(18) 0.6646(2) 0.13165(15) 0.0536(7) Uani 1 1 d .
H27A H 0.2491 0.6541 0.1617 0.08 Uiso 1 1 calc R
H27B H 0.1781 0.594 0.1148 0.08 Uiso 1 1 calc R
H27C H 0.1745 0.6997 0.1559 0.08 Uiso 1 1 calc R
C26 C 0.16360(14) 0.1125(2) 1.01808(13) 0.0399(6) Uani 1 1 d .
H26A H 0.1874 0.0624 1.055 0.06 Uiso 1 1 calc R
H26B H 0.1408 0.1703 1.0331 0.06 Uiso 1 1 calc R
H26C H 0.1982 0.1444 1.0032 0.06 Uiso 1 1 calc R
C25 C 0.06747(17) 0.1521(3) 0.89464(15) 0.0532(7) Uani 1 1 d .
H25A H 0.0301 0.1267 0.8532 0.08 Uiso 1 1 calc R
H25B H 0.1061 0.1823 0.8849 0.08 Uiso 1 1 calc R
H25C H 0.0487 0.2082 0.9148 0.08 Uiso 1 1 calc R
H17A H 0.0674(12) 0.6195(18) 0.6477(11) 0.020(5) Uiso 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'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O2 S2 C28 105.71(12) . .
O2 S2 C27 105.24(13) . .
C28 S2 C27 98.72(15) . .
O1 S1 C26 106.46(12) . .
O1 S1 C25 106.11(13) . .
C26 S1 C25 98.00(14) . .
C1 N1 C8 108.69(15) . .
C1 N1 H01 125.7 . .
C8 N1 H01 125.7 . .
C7 C17 C15 113.76(15) . 2_556
C7 C17 C18 111.95(15) . .
C15 C17 C18 115.55(15) 2_556 .
C7 C17 H17A 105.6(13) . .
C15 C17 H17A 103.3(13) 2_556 .
C18 C17 H17A 105.4(13) . .
C7 C8 N1 109.68(16) . .
C7 C8 C16 130.40(17) . .
N1 C8 C16 119.91(16) . .
C9 N2 C16 109.05(16) . .
C9 N2 H02 125.5 . .
C16 N2 H02 125.5 . .
S2 C28 H28A 109.5 . .
S2 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
S2 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C20 C21 C22 117.84(18) . .
C20 C21 C24 120.6(2) . .
C22 C21 C24 121.56(19) . .
C21 C22 C23 121.29(18) . .
C21 C22 H22 119.4 . .
C23 C22 H22 119.4 . .
C18 C23 C22 120.54(18) . .
C18 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
C23 C18 C19 117.96(17) . .
C23 C18 C17 123.25(17) . .
C19 C18 C17 118.76(16) . .
C16 C15 C14 105.98(17) . .
C16 C15 C17 129.83(16) . 2_556
C14 C15 C17 123.60(16) . 2_556
C15 C16 N2 109.72(16) . .
C15 C16 C8 131.31(17) . .
N2 C16 C8 118.91(17) . .
C8 C7 C6 106.62(16) . .
C8 C7 C17 128.85(16) . .
C6 C7 C17 124.53(16) . .
C20 C19 C18 121.48(18) . .
C20 C19 H19 119.3 . .
C18 C19 H19 119.3 . .
C19 C20 C21 120.89(19) . .
C19 C20 H20 119.6 . .
C21 C20 H20 119.6 . .
C13 C14 C9 119.48(17) . .
C13 C14 C15 133.15(19) . .
C9 C14 C15 107.32(16) . .
N2 C9 C10 129.7(2) . .
N2 C9 C14 107.92(16) . .
C10 C9 C14 122.19(19) . .
C11 C10 C9 116.9(2) . .
C11 C10 H10 121.6 . .
C9 C10 H10 121.6 . .
C10 C11 C12 121.8(2) . .
C10 C11 H11 119.1 . .
C12 C11 H11 119.1 . .
C13 C12 C11 121.2(2) . .
C13 C12 H12 119.4 . .
C11 C12 H12 119.4 . .
C12 C13 C14 118.4(2) . .
C12 C13 H13 120.8 . .
C14 C13 H13 120.8 . .
N1 C1 C2 129.97(18) . .
N1 C1 C6 107.77(16) . .
C2 C1 C6 122.25(18) . .
C5 C6 C1 118.87(17) . .
C5 C6 C7 133.93(17) . .
C1 C6 C7 107.21(16) . .
C4 C5 C6 119.01(18) . .
C4 C5 H5 120.5 . .
C6 C5 H5 120.5 . .
C5 C4 C3 121.02(19) . .
C5 C4 H4 119.5 . .
C3 C4 H4 119.5 . .
C2 C3 C4 121.23(18) . .
C2 C3 H3 119.4 . .
C4 C3 H3 119.4 . .
C3 C2 C1 117.60(19) . .
C3 C2 H2 121.2 . .
C1 C2 H2 121.2 . .
S2 C27 H27A 109.5 . .
S2 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
S2 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
S1 C26 H26A 109.5 . .
S1 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
S1 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
S1 C25 H25A 109.5 . .
S1 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
S1 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S2 O2 1.5120(17) .
S2 C28 1.770(3) .
S2 C27 1.774(3) .
S1 O1 1.4958(19) .
S1 C26 1.772(3) .
S1 C25 1.784(3) .
N1 C1 1.374(2) .
N1 C8 1.384(2) .
N1 H01 0.88 .
C17 C7 1.506(2) .
C17 C15 1.509(3) 2_556
C17 C18 1.532(3) .
C17 H17A 1.00(2) .
C8 C7 1.370(3) .
C8 C16 1.472(3) .
N2 C9 1.367(3) .
N2 C16 1.383(2) .
N2 H02 0.88 .
C28 H28A 0.98 .
C28 H28B 0.98 .
C28 H28C 0.98 .
C24 C21 1.508(3) .
C24 H24A 0.98 .
C24 H24B 0.98 .
C24 H24C 0.98 .
C21 C20 1.389(3) .
C21 C22 1.390(3) .
C22 C23 1.394(3) .
C22 H22 0.95 .
C23 C18 1.387(3) .
C23 H23 0.95 .
C18 C19 1.391(3) .
C15 C16 1.378(3) .
C15 C14 1.442(2) .
C15 C17 1.509(3) 2_556
C7 C6 1.433(2) .
C19 C20 1.381(3) .
C19 H19 0.95 .
C20 H20 0.95 .
C14 C13 1.399(3) .
C14 C9 1.407(3) .
C9 C10 1.400(3) .
C10 C11 1.379(3) .
C10 H10 0.95 .
C11 C12 1.398(3) .
C11 H11 0.95 .
C12 C13 1.383(3) .
C12 H12 0.95 .
C13 H13 0.95 .
C1 C2 1.397(3) .
C1 C6 1.407(3) .
C6 C5 1.404(3) .
C5 C4 1.383(3) .
C5 H5 0.95 .
C4 C3 1.403(3) .
C4 H4 0.95 .
C3 C2 1.379(3) .
C3 H3 0.95 .
C2 H2 0.95 .
C27 H27A 0.98 .
C27 H27B 0.98 .
C27 H27C 0.98 .
C26 H26A 0.98 .
C26 H26B 0.98 .
C26 H26C 0.98 .
C25 H25A 0.98 .
C25 H25B 0.98 .
C25 H25C 0.98 .
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
C1 N1 C8 C7 1.7(2) .
C1 N1 C8 C16 -179.42(17) .
C20 C21 C22 C23 0.8(3) .
C24 C21 C22 C23 -179.4(2) .
C21 C22 C23 C18 -1.2(3) .
C22 C23 C18 C19 1.0(3) .
C22 C23 C18 C17 179.00(17) .
C7 C17 C18 C23 131.88(18) .
C15 C17 C18 C23 -0.5(3) 2_556
C7 C17 C18 C19 -50.2(2) .
C15 C17 C18 C19 177.44(17) 2_556
C14 C15 C16 N2 -1.0(2) .
C17 C15 C16 N2 170.22(17) 2_556
C14 C15 C16 C8 -178.10(18) .
C17 C15 C16 C8 -6.9(3) 2_556
C9 N2 C16 C15 1.1(2) .
C9 N2 C16 C8 178.62(16) .
C7 C8 C16 C15 -74.0(3) .
N1 C8 C16 C15 107.4(2) .
C7 C8 C16 N2 109.1(2) .
N1 C8 C16 N2 -69.5(2) .
N1 C8 C7 C6 -1.9(2) .
C16 C8 C7 C6 179.43(19) .
N1 C8 C7 C17 177.35(18) .
C16 C8 C7 C17 -1.4(4) .
C15 C17 C7 C8 91.3(2) 2_556
C18 C17 C7 C8 -42.0(3) .
C15 C17 C7 C6 -89.7(2) 2_556
C18 C17 C7 C6 137.06(18) .
C23 C18 C19 C20 -0.5(3) .
C17 C18 C19 C20 -178.53(19) .
C18 C19 C20 C21 0.1(3) .
C22 C21 C20 C19 -0.2(3) .
C24 C21 C20 C19 180.0(2) .
C16 C15 C14 C13 177.78(19) .
C17 C15 C14 C13 5.8(3) 2_556
C16 C15 C14 C9 0.6(2) .
C17 C15 C14 C9 -171.37(16) 2_556
C16 N2 C9 C10 -175.9(2) .
C16 N2 C9 C14 -0.7(2) .
C13 C14 C9 N2 -177.57(17) .
C15 C14 C9 N2 0.1(2) .
C13 C14 C9 C10 -1.9(3) .
C15 C14 C9 C10 175.74(18) .
N2 C9 C10 C11 176.1(2) .
C14 C9 C10 C11 1.5(3) .
C9 C10 C11 C12 -0.2(3) .
C10 C11 C12 C13 -0.7(3) .
C11 C12 C13 C14 0.3(3) .
C9 C14 C13 C12 1.0(3) .
C15 C14 C13 C12 -176.0(2) .
C8 N1 C1 C2 -179.5(2) .
C8 N1 C1 C6 -0.8(2) .
N1 C1 C6 C5 179.60(17) .
C2 C1 C6 C5 -1.6(3) .
N1 C1 C6 C7 -0.3(2) .
C2 C1 C6 C7 178.52(19) .
C8 C7 C6 C5 -178.6(2) .
C17 C7 C6 C5 2.2(3) .
C8 C7 C6 C1 1.3(2) .
C17 C7 C6 C1 -177.93(17) .
C1 C6 C5 C4 1.4(3) .
C7 C6 C5 C4 -178.8(2) .
C6 C5 C4 C3 -0.1(3) .
C5 C4 C3 C2 -1.0(4) .
C4 C3 C2 C1 0.8(3) .
N1 C1 C2 C3 179.0(2) .
C6 C1 C2 C3 0.5(3) .
