#------------------------------------------------------------------------------
#$Date: 2019-09-30 11:47:39 +0300 (Mon, 30 Sep 2019) $
#$Revision: 218929 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/42/7234238.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_7234238
loop_
_publ_author_name
'Cheng Chen'
'Xu-Hui Jin'
'Xue-Jun Zhou'
'Li-Xuan Cai'
'Ya-Jun Zhang'
'Jie Zhang'
_publ_section_title
;
 Photo-facilitated aggregation and correlated color temperature adjustment
 of single component organic solid state white-light emitting materials
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4563
_journal_page_last               4569
_journal_paper_doi               10.1039/C4TC02771J
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'C54 H50 Br2 Cl6 N8 O27'
_chemical_formula_sum            'C54 H50 Br2 Cl6 N8 O27'
_chemical_formula_weight         1615.54
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 110.361(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.816(7)
_cell_length_b                   12.486(3)
_cell_length_c                   20.898(6)
_cell_measurement_reflns_used    7258
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5049
_cell_measurement_theta_min      2.0789
_cell_volume                     6315(3)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  MicroMax-007
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0795
_diffrn_reflns_av_sigmaI/netI    0.0832
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25090
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        <1.0
_exptl_absorpt_coefficient_mu    1.631
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5939
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    1.699
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3272
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.894
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.194
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7103
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.194
_refine_ls_R_factor_all          0.1189
_refine_ls_R_factor_gt           0.0910
_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)+(0.1546P)²+32.9473P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2483
_refine_ls_wR_factor_ref         0.2934
_reflns_number_gt                5831
_reflns_number_total             7103
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2015-3-4563.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7234238
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Br1 Br -0.17545(3) 0.27380(5) 0.08656(4) 0.0247(2) Uani 1 1 d . . .
Cl1 Cl 0.10831(8) 0.42429(14) 0.18236(10) 0.0287(4) Uani 1 1 d . . .
Cl2 Cl 0.29874(7) 0.39549(13) 0.35737(9) 0.0243(4) Uani 1 1 d . . .
Cl3 Cl 0.44571(8) 0.26570(14) 0.10231(11) 0.0304(4) Uani 1 1 d . . .
O1 O 0.0656(3) 0.5018(6) 0.1700(4) 0.064(2) Uani 1 1 d . . .
O2 O 0.1589(3) 0.4742(7) 0.1888(4) 0.071(2) Uani 1 1 d . . .
O1W O 0.0738(4) 0.6841(7) 0.2471(5) 0.0208(19) Uani 0.50 1 d P . .
O3 O 0.0919(3) 0.3512(6) 0.1252(3) 0.0507(17) Uani 1 1 d . . .
O2W O 0.1107(2) 0.5230(4) 0.3448(3) 0.0311(12) Uani 1 1 d . . .
O4 O 0.1142(3) 0.3660(5) 0.2441(3) 0.0482(17) Uani 1 1 d . . .
O5 O 0.2788(2) 0.4060(5) 0.4129(3) 0.0324(12) Uani 1 1 d . . .
O6 O 0.2771(3) 0.4803(5) 0.3093(3) 0.0496(17) Uani 1 1 d . . .
O7 O 0.3584(2) 0.3996(5) 0.3834(3) 0.0361(13) Uani 1 1 d . . .
O8 O 0.2807(2) 0.2939(4) 0.3231(3) 0.0355(13) Uani 1 1 d . . .
O9 O 0.3890(2) 0.2620(5) 0.0996(3) 0.0396(14) Uani 1 1 d . . .
O10 O 0.4761(3) 0.3266(6) 0.1627(4) 0.065(2) Uani 1 1 d . . .
O11 O 0.4494(3) 0.3174(6) 0.0446(4) 0.064(2) Uani 1 1 d . . .
O12 O 0.4665(3) 0.1600(5) 0.1072(4) 0.055(2) Uani 1 1 d . . .
N1 N 0.0885(2) 0.0507(4) 0.1872(3) 0.0192(11) Uani 1 1 d . . .
N2 N 0.3007(2) -0.0261(4) 0.5044(3) 0.0226(12) Uani 1 1 d . . .
N3 N 0.3793(3) 0.1472(6) 0.4287(4) 0.0374(16) Uani 1 1 d . . .
H1 H 0.3547 0.1697 0.3902 0.045 Uiso 1 1 calc R . .
N4 N 0.2005(4) -0.1942(7) 0.5481(4) 0.0459(19) Uani 1 1 d . . .
H4 H 0.1714 -0.1954 0.5104 0.055 Uiso 1 1 calc R . .
C1 C -0.1068(3) 0.2062(5) 0.0988(4) 0.0253(15) Uani 1 1 d . . .
C2 C -0.0600(3) 0.2361(6) 0.1526(4) 0.0251(15) Uani 1 1 d . . .
H2 H -0.0623 0.2887 0.1843 0.030 Uiso 1 1 calc R . .
C3 C -0.0096(3) 0.1883(6) 0.1598(4) 0.0271(16) Uani 1 1 d . . .
H3 H 0.0227 0.2096 0.1961 0.033 Uiso 1 1 calc R . .
C4 C -0.0062(3) 0.1105(5) 0.1149(4) 0.0225(14) Uani 1 1 d . . .
C5 C -0.0540(3) 0.0801(5) 0.0607(3) 0.0210(14) Uani 1 1 d . . .
H5 H -0.0518 0.0265 0.0295 0.025 Uiso 1 1 calc R . .
C6 C -0.1046(3) 0.1278(6) 0.0526(3) 0.0227(14) Uani 1 1 d . . .
H6 H -0.1370 0.1073 0.0161 0.027 Uiso 1 1 calc R . .
C7 C 0.0483(3) 0.0609(6) 0.1176(4) 0.0261(15) Uani 1 1 d . . .
H7A H 0.0410 -0.0110 0.0964 0.031 Uiso 1 1 calc R . .
H7B H 0.0646 0.1055 0.0903 0.031 Uiso 1 1 calc R . .
C8 C 0.1289(3) 0.1250(5) 0.2120(4) 0.0225(14) Uani 1 1 d . . .
H8 H 0.1296 0.1858 0.1849 0.027 Uiso 1 1 calc R . .
C9 C 0.1685(3) 0.1143(5) 0.2747(3) 0.0202(14) Uani 1 1 d . . .
H9 H 0.1964 0.1673 0.2908 0.024 Uiso 1 1 calc R . .
C10 C 0.1683(3) 0.0260(5) 0.3155(4) 0.0210(14) Uani 1 1 d . . .
C11 C 0.1257(3) -0.0477(6) 0.2904(4) 0.0255(15) Uani 1 1 d . . .
H11 H 0.1235 -0.1079 0.3172 0.031 Uiso 1 1 calc R . .
C12 C 0.0863(3) -0.0330(6) 0.2263(4) 0.0282(16) Uani 1 1 d . . .
H12 H 0.0572 -0.0834 0.2097 0.034 Uiso 1 1 calc R . .
C13 C 0.2137(3) 0.0091(5) 0.3817(3) 0.0195(13) Uani 1 1 d . . .
C14 C 0.2667(3) 0.0505(5) 0.3926(4) 0.0207(14) Uani 1 1 d . . .
H14 H 0.2742 0.0908 0.3582 0.025 Uiso 1 1 calc R . .
C15 C 0.3080(3) 0.0308(5) 0.4553(3) 0.0200(13) Uani 1 1 d . . .
C16 C 0.2499(3) -0.0662(5) 0.4942(3) 0.0221(14) Uani 1 1 d . . .
C17 C 0.2058(3) -0.0493(5) 0.4353(4) 0.0219(14) Uani 1 1 d . . .
H17 H 0.1703 -0.0767 0.4307 0.026 Uiso 1 1 calc R . .
C18 C 0.3650(3) 0.0747(5) 0.4710(4) 0.0202(14) Uani 1 1 d . . .
C19 C 0.4034(3) 0.0421(5) 0.5290(3) 0.0162(12) Uani 1 1 d . . .
H19 H 0.3929 -0.0072 0.5568 0.019 Uiso 1 1 calc R . .
C20 C 0.4553(3) 0.0748(6) 0.5498(4) 0.0292(16) Uani 1 1 d . . .
H20 H 0.4808 0.0512 0.5923 0.035 Uiso 1 1 calc R . .
C21 C 0.4722(3) 0.1444(6) 0.5085(4) 0.0257(15) Uani 1 1 d . . .
H21 H 0.5098 0.1652 0.5211 0.031 Uiso 1 1 calc R . .
C22 C 0.4336(3) 0.1820(6) 0.4497(4) 0.0258(15) Uani 1 1 d . . .
H22 H 0.4442 0.2329 0.4228 0.031 Uiso 1 1 calc R . .
C23 C 0.2459(3) -0.1311(5) 0.5522(4) 0.0210(14) Uani 1 1 d . . .
C24 C 0.2889(3) -0.1282(5) 0.6110(3) 0.0174(13) Uani 1 1 d . . .
H24 H 0.3196 -0.0843 0.6134 0.021 Uiso 1 1 calc R . .
C25 C 0.2908(4) -0.1844(7) 0.6669(4) 0.0357(19) Uani 1 1 d . . .
H25 H 0.3217 -0.1788 0.7080 0.043 Uiso 1 1 calc R . .
C26 C 0.2468(4) -0.2505(6) 0.6631(4) 0.0322(18) Uani 1 1 d . . .
H26 H 0.2479 -0.2924 0.7014 0.039 Uiso 1 1 calc R . .
C27 C 0.2017(4) -0.2558(6) 0.6045(5) 0.0337(19) Uani 1 1 d . . .
H27 H 0.1714 -0.3009 0.6021 0.040 Uiso 1 1 calc R . .
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'
Br Br -0.2901 2.4595 '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_
_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 Cl1 O1 110.5(5) . .
O2 Cl1 O4 109.4(4) . .
O1 Cl1 O4 109.9(5) . .
O2 Cl1 O3 110.7(5) . .
O1 Cl1 O3 107.1(4) . .
O4 Cl1 O3 109.2(4) . .
O5 Cl2 O6 109.8(4) . .
O5 Cl2 O7 109.2(3) . .
O6 Cl2 O7 110.0(4) . .
O5 Cl2 O8 109.7(3) . .
O6 Cl2 O8 108.7(4) . .
O7 Cl2 O8 109.5(4) . .
O11 Cl3 O12 110.7(4) . .
O11 Cl3 O9 110.6(4) . .
O12 Cl3 O9 109.1(4) . .
O11 Cl3 O10 109.3(5) . .
O12 Cl3 O10 110.4(5) . .
O9 Cl3 O10 106.6(4) . .
C12 N1 C8 119.4(6) . .
C12 N1 C7 120.5(6) . .
C8 N1 C7 120.2(6) . .
C15 N2 C16 118.3(6) . .
C22 N3 C18 117.6(7) . .
C22 N3 H1 121.2 . .
C18 N3 H1 121.2 . .
C23 N4 C27 119.3(8) . .
C23 N4 H4 120.4 . .
C27 N4 H4 120.4 . .
C2 C1 C6 121.2(7) . .
C2 C1 Br1 120.0(5) . .
C6 C1 Br1 118.8(6) . .
C1 C2 C3 119.4(7) . .
C1 C2 H2 120.3 . .
C3 C2 H2 120.3 . .
C4 C3 C2 120.6(7) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C3 C4 C5 119.5(6) . .
C3 C4 C7 122.8(7) . .
C5 C4 C7 117.5(6) . .
C6 C5 C4 120.4(6) . .
C6 C5 H5 119.8 . .
C4 C5 H5 119.8 . .
C5 C6 C1 118.7(7) . .
C5 C6 H6 120.6 . .
C1 C6 H6 120.6 . .
N1 C7 C4 113.4(6) . .
N1 C7 H7A 108.9 . .
C4 C7 H7A 108.9 . .
N1 C7 H7B 108.9 . .
C4 C7 H7B 108.9 . .
H7A C7 H7B 107.7 . .
N1 C8 C9 121.3(6) . .
N1 C8 H8 119.3 . .
C9 C8 H8 119.3 . .
C8 C9 C10 120.4(7) . .
C8 C9 H9 119.8 . .
C10 C9 H9 119.8 . .
C11 C10 C9 117.6(7) . .
C11 C10 C13 121.5(6) . .
C9 C10 C13 120.8(6) . .
C12 C11 C10 119.7(6) . .
C12 C11 H11 120.1 . .
C10 C11 H11 120.1 . .
N1 C12 C11 121.5(7) . .
N1 C12 H12 119.3 . .
C11 C12 H12 119.3 . .
C14 C13 C17 117.7(6) . .
C14 C13 C10 120.5(6) . .
C17 C13 C10 121.8(6) . .
C15 C14 C13 118.0(6) . .
C15 C14 H14 121.0 . .
C13 C14 H14 121.0 . .
N2 C15 C14 123.9(7) . .
N2 C15 C18 115.2(6) . .
C14 C15 C18 120.9(6) . .
N2 C16 C17 122.9(6) . .
N2 C16 C23 114.3(6) . .
C17 C16 C23 122.9(6) . .
C16 C17 C13 119.1(6) . .
C16 C17 H17 120.4 . .
C13 C17 H17 120.4 . .
C19 C18 N3 119.5(6) . .
C19 C18 C15 116.8(6) . .
N3 C18 C15 123.6(6) . .
C20 C19 C18 123.6(7) . .
C20 C19 H19 118.2 . .
C18 C19 H19 118.2 . .
C19 C20 C21 119.3(7) . .
C19 C20 H20 120.4 . .
C21 C20 H20 120.4 . .
C22 C21 C20 118.8(7) . .
C22 C21 H21 120.6 . .
C20 C21 H21 120.6 . .
C21 C22 N3 121.2(7) . .
C21 C22 H22 119.4 . .
N3 C22 H22 119.4 . .
C24 C23 N4 119.0(6) . .
C24 C23 C16 117.5(6) . .
N4 C23 C16 123.5(7) . .
C23 C24 C25 123.2(7) . .
C23 C24 H24 118.4 . .
C25 C24 H24 118.4 . .
C24 C25 C26 118.6(8) . .
C24 C25 H25 120.7 . .
C26 C25 H25 120.7 . .
C27 C26 C25 120.5(7) . .
C27 C26 H26 119.7 . .
C25 C26 H26 119.7 . .
C26 C27 N4 119.3(8) . .
C26 C27 H27 120.3 . .
N4 C27 H27 120.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Br1 C1 1.899(7) .
Cl1 O2 1.412(7) .
Cl1 O1 1.421(7) .
Cl1 O4 1.443(6) .
Cl1 O3 1.445(7) .
Cl2 O5 1.430(5) .
Cl2 O6 1.433(6) .
Cl2 O7 1.446(6) .
Cl2 O8 1.452(6) .
Cl3 O11 1.400(7) .
Cl3 O12 1.415(6) .
Cl3 O9 1.446(6) .
Cl3 O10 1.448(7) .
N1 C12 1.340(9) .
N1 C8 1.358(9) .
N1 C7 1.469(9) .
N2 C15 1.314(9) .
N2 C16 1.349(9) .
N3 C22 1.385(10) .
N3 C18 1.403(10) .
N3 H1 0.8800 .
N4 C23 1.389(10) .
N4 C27 1.400(11) .
N4 H4 0.8800 .
C1 C2 1.384(11) .
C1 C6 1.391(10) .
C2 C3 1.390(10) .
C2 H2 0.9500 .
C3 C4 1.375(9) .
C3 H3 0.9500 .
C4 C5 1.407(10) .
C4 C7 1.519(9) .
C5 C6 1.390(10) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.359(10) .
C8 H8 0.9500 .
C9 C10 1.395(9) .
C9 H9 0.9500 .
C10 C11 1.390(10) .
C10 C13 1.486(10) .
C11 C12 1.382(11) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.405(9) .
C13 C17 1.410(9) .
C14 C15 1.394(10) .
C14 H14 0.9500 .
C15 C18 1.494(9) .
C16 C17 1.371(10) .
C16 C23 1.492(9) .
C17 H17 0.9500 .
C18 C19 1.334(10) .
C19 C20 1.321(10) .
C19 H19 0.9500 .
C20 C21 1.396(11) .
C20 H20 0.9500 .
C21 C22 1.369(11) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23 C24 1.339(10) .
C24 C25 1.350(10) .
C24 H24 0.9500 .
C25 C26 1.385(13) .
C25 H25 0.9500 .
C26 C27 1.365(13) .
C26 H26 0.9500 .
C27 H27 0.9500 .
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
C6 C1 C2 C3 1.2(11) . . . .
Br1 C1 C2 C3 -178.0(6) . . . .
C1 C2 C3 C4 -1.3(11) . . . .
C2 C3 C4 C5 0.8(11) . . . .
C2 C3 C4 C7 175.9(7) . . . .
C3 C4 C5 C6 -0.3(10) . . . .
C7 C4 C5 C6 -175.6(6) . . . .
C4 C5 C6 C1 0.2(10) . . . .
C2 C1 C6 C5 -0.7(10) . . . .
Br1 C1 C6 C5 178.6(5) . . . .
C12 N1 C7 C4 83.1(8) . . . .
C8 N1 C7 C4 -98.4(7) . . . .
C3 C4 C7 N1 34.1(10) . . . .
C5 C4 C7 N1 -150.7(6) . . . .
C12 N1 C8 C9 2.3(10) . . . .
C7 N1 C8 C9 -176.2(6) . . . .
N1 C8 C9 C10 -0.2(10) . . . .
C8 C9 C10 C11 -1.8(9) . . . .
C8 C9 C10 C13 175.2(6) . . . .
C9 C10 C11 C12 1.6(10) . . . .
C13 C10 C11 C12 -175.3(6) . . . .
C8 N1 C12 C11 -2.4(10) . . . .
C7 N1 C12 C11 176.0(6) . . . .
C10 C11 C12 N1 0.5(11) . . . .
C11 C10 C13 C14 150.3(7) . . . .
C9 C10 C13 C14 -26.5(9) . . . .
C11 C10 C13 C17 -29.0(10) . . . .
C9 C10 C13 C17 154.2(6) . . . .
C17 C13 C14 C15 0.3(9) . . . .
C10 C13 C14 C15 -179.0(6) . . . .
C16 N2 C15 C14 -1.4(10) . . . .
C16 N2 C15 C18 178.5(5) . . . .
C13 C14 C15 N2 1.5(10) . . . .
C13 C14 C15 C18 -178.4(6) . . . .
C15 N2 C16 C17 -0.6(10) . . . .
C15 N2 C16 C23 179.0(6) . . . .
N2 C16 C17 C13 2.3(10) . . . .
C23 C16 C17 C13 -177.2(6) . . . .
C14 C13 C17 C16 -2.1(9) . . . .
C10 C13 C17 C16 177.2(6) . . . .
C22 N3 C18 C19 -0.1(10) . . . .
C22 N3 C18 C15 179.6(6) . . . .
N2 C15 C18 C19 7.3(9) . . . .
C14 C15 C18 C19 -172.7(6) . . . .
N2 C15 C18 N3 -172.4(6) . . . .
C14 C15 C18 N3 7.6(10) . . . .
N3 C18 C19 C20 0.3(10) . . . .
C15 C18 C19 C20 -179.4(6) . . . .
C18 C19 C20 C21 -2.3(11) . . . .
C19 C20 C21 C22 4.0(11) . . . .
C20 C21 C22 N3 -4.0(11) . . . .
C18 N3 C22 C21 2.0(10) . . . .
C27 N4 C23 C24 -2.2(10) . . . .
C27 N4 C23 C16 177.3(7) . . . .
N2 C16 C23 C24 10.8(8) . . . .
C17 C16 C23 C24 -169.6(6) . . . .
N2 C16 C23 N4 -168.7(6) . . . .
C17 C16 C23 N4 10.9(10) . . . .
N4 C23 C24 C25 0.5(10) . . . .
C16 C23 C24 C25 -179.0(6) . . . .
C23 C24 C25 C26 1.6(11) . . . .
C24 C25 C26 C27 -2.0(11) . . . .
C25 C26 C27 N4 0.4(12) . . . .
C23 N4 C27 C26 1.7(11) . . . .
