#------------------------------------------------------------------------------
#$Date: 2016-05-06 03:16:24 +0300 (Fri, 06 May 2016) $
#$Revision: 182604 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/89/7118922.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_7118922
loop_
_publ_author_name
'Wang, Huan'
'Zhang, Zhiyun'
'Zhou, Haitao'
'Wang, Tonghai'
'Su, Jianhua'
'Tong, Xiaofeng'
'Tian, He'
_publ_section_title
;
 Cu-catalyzed C-H amination/Ullmann N-arylation domino reaction: a
 straightforward synthesis of
 9,14-diaryl-9,14-dihydrodibenzo[a,c]phenazine.
;
_journal_issue                   31
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5459
_journal_page_last               5462
_journal_paper_doi               10.1039/c6cc01569g
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C34.5 H25 Cl N2 O2'
_chemical_formula_weight         535.02
_chemical_name_systematic
; 
 ? 
;
_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_block_doi                 10.5517/ccyv2b5
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-11-30 deposited with the CCDC.
2016-03-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 92.570(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.3088(9)
_cell_length_b                   17.9930(11)
_cell_length_c                   19.4932(12)
_cell_measurement_reflns_used    4524
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      56.508
_cell_measurement_theta_min      4.534
_cell_volume                     5364.0(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0273
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15604
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    0.178
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77314
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2232
_exptl_crystal_size_max          0.311
_exptl_crystal_size_mid          0.257
_exptl_crystal_size_min          0.205
_refine_diff_density_max         0.491
_refine_diff_density_min         -0.650
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         5002
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0581
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0946P)²+5.2331P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1653
_refine_ls_wR_factor_ref         0.1780
_reflns_number_gt                3936
_reflns_number_total             5002
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6cc01569g2.cif
_cod_data_source_block           cd21251
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7118922--7118925.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C34.50 H25 Cl N2 O2'
_cod_database_code               7118922
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
Cl1 Cl 0.40656(14) 0.80931(15) 0.25505(12) 0.2096(10) Uani 1 1 d .
N1 N 0.19350(11) 0.00518(10) 0.38775(9) 0.0414(4) Uani 1 1 d .
N2 N 0.26335(11) 0.02736(10) 0.51489(10) 0.0435(4) Uani 1 1 d .
O1 O 0.37795(13) 0.22393(12) 0.17664(12) 0.0797(6) Uani 1 1 d .
O2 O 0.45308(11) 0.11848(10) 0.16808(9) 0.0589(5) Uani 1 1 d .
C1 C 0.23659(13) -0.05685(11) 0.42083(11) 0.0408(5) Uani 1 1 d .
C2 C 0.23763(14) -0.12683(12) 0.39180(12) 0.0460(5) Uani 1 1 d .
H2 H 0.2097 -0.1354 0.3492 0.055 Uiso 1 1 calc R
C3 C 0.28044(16) -0.18411(13) 0.42661(14) 0.0535(6) Uani 1 1 d .
H3 H 0.2831 -0.2310 0.4067 0.064 Uiso 1 1 calc R
C4 C 0.31908(15) -0.17169(13) 0.49068(14) 0.0537(6) Uani 1 1 d .
H4 H 0.3481 -0.2103 0.5138 0.064 Uiso 1 1 calc R
C5 C 0.31533(14) -0.10279(12) 0.52102(13) 0.0474(5) Uani 1 1 d .
H5 H 0.3395 -0.0955 0.5651 0.057 Uiso 1 1 calc R
C6 C 0.27532(13) -0.04440(11) 0.48556(11) 0.0407(5) Uani 1 1 d .
C7 C 0.14252(13) 0.04558(11) 0.43573(11) 0.0385(5) Uani 1 1 d .
C8 C 0.17813(13) 0.05591(11) 0.49942(11) 0.0397(5) Uani 1 1 d .
C9 C 0.12899(13) 0.08841(11) 0.55325(11) 0.0410(5) Uani 1 1 d .
C10 C 0.16414(16) 0.09517(14) 0.62069(12) 0.0541(6) Uani 1 1 d .
H10 H 0.2206 0.0785 0.6313 0.065 Uiso 1 1 calc R
C11 C 0.11674(19) 0.12573(17) 0.67055(14) 0.0680(8) Uani 1 1 d .
H11 H 0.1409 0.1302 0.7150 0.082 Uiso 1 1 calc R
C12 C 0.03222(19) 0.15030(17) 0.65532(14) 0.0674(8) Uani 1 1 d .
H12 H -0.0001 0.1713 0.6896 0.081 Uiso 1 1 calc R
C13 C -0.00375(16) 0.14380(14) 0.59024(13) 0.0531(6) Uani 1 1 d .
H13 H -0.0605 0.1606 0.5809 0.064 Uiso 1 1 calc R
C14 C 0.04287(13) 0.11234(11) 0.53729(11) 0.0404(5) Uani 1 1 d .
C15 C 0.00489(13) 0.10214(11) 0.46834(11) 0.0386(5) Uani 1 1 d .
C16 C -0.08127(14) 0.12394(13) 0.44956(12) 0.0468(5) Uani 1 1 d .
H16 H -0.1147 0.1474 0.4818 0.056 Uiso 1 1 calc R
C17 C -0.11662(15) 0.11145(15) 0.38551(13) 0.0563(6) Uani 1 1 d .
H17 H -0.1733 0.1271 0.3742 0.068 Uiso 1 1 calc R
C18 C -0.06879(16) 0.07552(16) 0.33680(13) 0.0588(6) Uani 1 1 d .
H18 H -0.0937 0.0665 0.2932 0.071 Uiso 1 1 calc R
C19 C 0.01519(15) 0.05322(14) 0.35275(12) 0.0501(6) Uani 1 1 d .
H19 H 0.0469 0.0289 0.3199 0.060 Uiso 1 1 calc R
C20 C 0.05378(13) 0.06673(11) 0.41805(11) 0.0396(5) Uani 1 1 d .
C21 C 0.23950(13) 0.04369(12) 0.33792(10) 0.0400(5) Uani 1 1 d .
C22 C 0.30212(17) 0.00686(14) 0.30077(13) 0.0550(6) Uani 1 1 d .
H22 H 0.3121 -0.0435 0.3083 0.066 Uiso 1 1 calc R
C23 C 0.34919(17) 0.04383(14) 0.25336(13) 0.0554(6) Uani 1 1 d .
H23 H 0.3911 0.0182 0.2296 0.067 Uiso 1 1 calc R
C24 C 0.33568(14) 0.11815(13) 0.24013(11) 0.0452(5) Uani 1 1 d .
C25 C 0.27184(15) 0.15479(13) 0.27539(12) 0.0486(5) Uani 1 1 d .
H25 H 0.2609 0.2048 0.2664 0.058 Uiso 1 1 calc R
C26 C 0.22415(15) 0.11819(13) 0.32372(12) 0.0466(5) Uani 1 1 d .
H26 H 0.1816 0.1437 0.3468 0.056 Uiso 1 1 calc R
C27 C 0.38965(15) 0.16048(15) 0.19236(12) 0.0500(6) Uani 1 1 d .
C28 C 0.51225(17) 0.15301(18) 0.12214(14) 0.0666(8) Uani 1 1 d .
H28A H 0.4793 0.1784 0.0862 0.100 Uiso 1 1 calc R
H28B H 0.5482 0.1156 0.1024 0.100 Uiso 1 1 calc R
H28C H 0.5487 0.1880 0.1472 0.100 Uiso 1 1 calc R
C29 C 0.33352(13) 0.07749(12) 0.52980(11) 0.0437(5) Uani 1 1 d .
C30 C 0.32173(16) 0.15291(14) 0.52044(16) 0.0615(7) Uani 1 1 d .
H30 H 0.2684 0.1704 0.5024 0.074 Uiso 1 1 calc R
C31 C 0.38775(18) 0.20282(16) 0.53741(17) 0.0705(8) Uani 1 1 d .
H31 H 0.3780 0.2534 0.5313 0.085 Uiso 1 1 calc R
C32 C 0.46709(17) 0.17866(16) 0.56301(15) 0.0661(7) Uani 1 1 d .
H32 H 0.5113 0.2123 0.5749 0.079 Uiso 1 1 calc R
C33 C 0.48031(17) 0.10400(17) 0.57093(16) 0.0678(8) Uani 1 1 d .
H33 H 0.5346 0.0870 0.5876 0.081 Uiso 1 1 calc R
C34 C 0.41472(16) 0.05315(15) 0.55470(15) 0.0586(7) Uani 1 1 d .
H34 H 0.4252 0.0026 0.5605 0.070 Uiso 1 1 calc R
C35 C 0.5000 0.7558(5) 0.2500 0.205(5) Uani 1 2 d S
H35A H 0.4942 0.7240 0.2098 0.246 Uiso 0.50 1 calc PR
H35B H 0.5058 0.7240 0.2902 0.246 Uiso 0.50 1 calc PR
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'
O O 0.0106 0.0060 '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'
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
C21 N1 C1 117.33(16) . .
C21 N1 C7 120.10(17) . .
C1 N1 C7 110.62(16) . .
C8 N2 C29 119.44(17) . .
C8 N2 C6 112.02(17) . .
C29 N2 C6 123.10(17) . .
C27 O2 C28 117.6(2) . .
C2 C1 C6 120.5(2) . .
C2 C1 N1 122.6(2) . .
C6 C1 N1 116.88(19) . .
C1 C2 C3 119.5(2) . .
C1 C2 H2 120.3 . .
C3 C2 H2 120.3 . .
C4 C3 C2 119.9(2) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C5 C4 C3 120.8(2) . .
C5 C4 H4 119.6 . .
C3 C4 H4 119.6 . .
C4 C5 C6 119.7(2) . .
C4 C5 H5 120.2 . .
C6 C5 H5 120.2 . .
C5 C6 C1 119.5(2) . .
C5 C6 N2 123.2(2) . .
C1 C6 N2 116.93(18) . .
C8 C7 C20 121.58(19) . .
C8 C7 N1 117.34(18) . .
C20 C7 N1 120.75(18) . .
C7 C8 N2 118.39(19) . .
C7 C8 C9 121.61(19) . .
N2 C8 C9 119.71(19) . .
C10 C9 C14 119.8(2) . .
C10 C9 C8 121.8(2) . .
C14 C9 C8 118.48(19) . .
C11 C10 C9 120.8(2) . .
C11 C10 H10 119.6 . .
C9 C10 H10 119.6 . .
C10 C11 C12 120.0(2) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C13 C12 C11 120.3(2) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C14 121.5(2) . .
C12 C13 H13 119.3 . .
C14 C13 H13 119.3 . .
C13 C14 C9 117.6(2) . .
C13 C14 C15 122.5(2) . .
C9 C14 C15 119.86(19) . .
C16 C15 C20 117.7(2) . .
C16 C15 C14 122.47(19) . .
C20 C15 C14 119.81(18) . .
C17 C16 C15 121.5(2) . .
C17 C16 H16 119.2 . .
C15 C16 H16 119.2 . .
C16 C17 C18 120.5(2) . .
C16 C17 H17 119.8 . .
C18 C17 H17 119.8 . .
C19 C18 C17 120.1(2) . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C20 120.6(2) . .
C18 C19 H19 119.7 . .
C20 C19 H19 119.7 . .
C19 C20 C15 119.63(19) . .
C19 C20 C7 121.84(19) . .
C15 C20 C7 118.53(19) . .
C26 C21 C22 118.0(2) . .
C26 C21 N1 121.89(19) . .
C22 C21 N1 120.08(19) . .
C23 C22 C21 121.0(2) . .
C23 C22 H22 119.5 . .
C21 C22 H22 119.5 . .
C22 C23 C24 121.3(2) . .
C22 C23 H23 119.4 . .
C24 C23 H23 119.4 . .
C23 C24 C25 118.2(2) . .
C23 C24 C27 122.3(2) . .
C25 C24 C27 119.5(2) . .
C26 C25 C24 121.1(2) . .
C26 C25 H25 119.5 . .
C24 C25 H25 119.5 . .
C25 C26 C21 120.4(2) . .
C25 C26 H26 119.8 . .
C21 C26 H26 119.8 . .
O1 C27 O2 123.6(2) . .
O1 C27 C24 124.8(2) . .
O2 C27 C24 111.5(2) . .
O2 C28 H28A 109.5 . .
O2 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
O2 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 C34 117.8(2) . .
C30 C29 N2 120.2(2) . .
C34 C29 N2 121.9(2) . .
C29 C30 C31 121.2(2) . .
C29 C30 H30 119.4 . .
C31 C30 H30 119.4 . .
C32 C31 C30 120.7(3) . .
C32 C31 H31 119.6 . .
C30 C31 H31 119.6 . .
C31 C32 C33 118.7(2) . .
C31 C32 H32 120.7 . .
C33 C32 H32 120.7 . .
C32 C33 C34 121.4(3) . .
C32 C33 H33 119.3 . .
C34 C33 H33 119.3 . .
C33 C34 C29 120.1(2) . .
C33 C34 H34 120.0 . .
C29 C34 H34 120.0 . .
Cl1 C35 Cl1 112.4(5) . 2_655
Cl1 C35 H35A 109.1 . .
Cl1 C35 H35A 109.1 2_655 .
Cl1 C35 H35B 109.1 . .
Cl1 C35 H35B 109.1 2_655 .
H35A C35 H35B 107.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl1 C35 1.731(5) .
N1 C21 1.407(3) .
N1 C1 1.435(3) .
N1 C7 1.442(3) .
N2 C8 1.422(3) .
N2 C29 1.423(3) .
N2 C6 1.427(3) .
O1 C27 1.193(3) .
O2 C27 1.334(3) .
O2 C28 1.443(3) .
C1 C2 1.381(3) .
C1 C6 1.388(3) .
C2 C3 1.383(3) .
C2 H2 0.9300 .
C3 C4 1.376(4) .
C3 H3 0.9300 .
C4 C5 1.376(3) .
C4 H4 0.9300 .
C5 C6 1.385(3) .
C5 H5 0.9300 .
C7 C8 1.346(3) .
C7 C20 1.438(3) .
C8 C9 1.442(3) .
C9 C10 1.403(3) .
C9 C14 1.408(3) .
C10 C11 1.355(4) .
C10 H10 0.9300 .
C11 C12 1.387(4) .
C11 H11 0.9300 .
C12 C13 1.365(4) .
C12 H12 0.9300 .
C13 C14 1.400(3) .
C13 H13 0.9300 .
C14 C15 1.452(3) .
C15 C16 1.409(3) .
C15 C20 1.412(3) .
C16 C17 1.357(3) .
C16 H16 0.9300 .
C17 C18 1.385(4) .
C17 H17 0.9300 .
C18 C19 1.369(3) .
C18 H18 0.9300 .
C19 C20 1.400(3) .
C19 H19 0.9300 .
C21 C26 1.387(3) .
C21 C22 1.395(3) .
C22 C23 1.370(3) .
C22 H22 0.9300 .
C23 C24 1.376(3) .
C23 H23 0.9300 .
C24 C25 1.386(3) .
C24 C27 1.483(3) .
C25 C26 1.384(3) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C30 1.380(3) .
C29 C34 1.385(3) .
C30 C31 1.381(4) .
C30 H30 0.9300 .
C31 C32 1.363(4) .
C31 H31 0.9300 .
C32 C33 1.366(4) .
C32 H32 0.9300 .
C33 C34 1.384(4) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 Cl1 1.731(5) 2_655
C35 H35A 0.9700 .
C35 H35B 0.9700 .
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
C21 N1 C1 C2 -82.6(3)
C7 N1 C1 C2 134.5(2)
C21 N1 C1 C6 99.7(2)
C7 N1 C1 C6 -43.2(2)
C6 C1 C2 C3 -2.4(3)
N1 C1 C2 C3 -179.98(19)
C1 C2 C3 C4 2.2(3)
C2 C3 C4 C5 0.4(3)
C3 C4 C5 C6 -2.7(3)
C4 C5 C6 C1 2.4(3)
C4 C5 C6 N2 175.6(2)
C2 C1 C6 C5 0.1(3)
N1 C1 C6 C5 177.82(18)
C2 C1 C6 N2 -173.51(18)
N1 C1 C6 N2 4.2(3)
C8 N2 C6 C5 -135.7(2)
C29 N2 C6 C5 70.6(3)
C8 N2 C6 C1 37.6(3)
C29 N2 C6 C1 -116.1(2)
C21 N1 C7 C8 -100.8(2)
C1 N1 C7 C8 41.0(2)
C21 N1 C7 C20 85.7(2)
C1 N1 C7 C20 -132.56(19)
C20 C7 C8 N2 174.20(18)
N1 C7 C8 N2 0.7(3)
C20 C7 C8 C9 0.3(3)
N1 C7 C8 C9 -173.18(18)
C29 N2 C8 C7 114.1(2)
C6 N2 C8 C7 -40.7(3)
C29 N2 C8 C9 -71.8(3)
C6 N2 C8 C9 133.4(2)
C7 C8 C9 C10 176.1(2)
N2 C8 C9 C10 2.3(3)
C7 C8 C9 C14 -2.5(3)
N2 C8 C9 C14 -176.39(18)
C14 C9 C10 C11 -1.2(4)
C8 C9 C10 C11 -179.8(2)
C9 C10 C11 C12 0.5(5)
C10 C11 C12 C13 0.1(5)
C11 C12 C13 C14 0.1(4)
C12 C13 C14 C9 -0.9(4)
C12 C13 C14 C15 177.5(2)
C10 C9 C14 C13 1.4(3)
C8 C9 C14 C13 -179.95(19)
C10 C9 C14 C15 -177.0(2)
C8 C9 C14 C15 1.6(3)
C13 C14 C15 C16 0.7(3)
C9 C14 C15 C16 179.1(2)
C13 C14 C15 C20 -176.9(2)
C9 C14 C15 C20 1.5(3)
C20 C15 C16 C17 0.1(3)
C14 C15 C16 C17 -177.6(2)
C15 C16 C17 C18 1.0(4)
C16 C17 C18 C19 -0.9(4)
C17 C18 C19 C20 -0.3(4)
C18 C19 C20 C15 1.5(3)
C18 C19 C20 C7 -178.5(2)
C16 C15 C20 C19 -1.3(3)
C14 C15 C20 C19 176.39(19)
C16 C15 C20 C7 178.59(19)
C14 C15 C20 C7 -3.7(3)
C8 C7 C20 C19 -177.2(2)
N1 C7 C20 C19 -4.0(3)
C8 C7 C20 C15 2.9(3)
N1 C7 C20 C15 176.10(17)
C1 N1 C21 C26 -152.6(2)
C7 N1 C21 C26 -13.3(3)
C1 N1 C21 C22 27.9(3)
C7 N1 C21 C22 167.2(2)
C26 C21 C22 C23 2.2(4)
N1 C21 C22 C23 -178.3(2)
C21 C22 C23 C24 -0.8(4)
C22 C23 C24 C25 -1.0(4)
C22 C23 C24 C27 176.0(2)
C23 C24 C25 C26 1.4(3)
C27 C24 C25 C26 -175.7(2)
C24 C25 C26 C21 0.1(3)
C22 C21 C26 C25 -1.8(3)
N1 C21 C26 C25 178.7(2)
C28 O2 C27 O1 2.2(4)
C28 O2 C27 C24 -178.5(2)
C23 C24 C27 O1 176.2(3)
C25 C24 C27 O1 -6.8(4)
C23 C24 C27 O2 -3.1(3)
C25 C24 C27 O2 173.9(2)
C8 N2 C29 C30 -8.6(3)
C6 N2 C29 C30 143.3(2)
C8 N2 C29 C34 170.6(2)
C6 N2 C29 C34 -37.6(3)
C34 C29 C30 C31 -2.1(4)
N2 C29 C30 C31 177.1(3)
C29 C30 C31 C32 1.0(5)
C30 C31 C32 C33 0.6(5)
C31 C32 C33 C34 -1.1(5)
C32 C33 C34 C29 0.0(5)
C30 C29 C34 C33 1.5(4)
N2 C29 C34 C33 -177.6(2)
