#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/96/2209674.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2209674
loop_
_publ_author_name
'Trávníček, Zdeněk'
'Marek, Jaromír'
'Szüčová, Lucie'
_publ_section_title
;trans-Bis{2-chloro-6-[(3-hydroxybenzyl)amino]-9-isopropylpurine-κN⁷}platinum(II)
 dimethylformamide disolvate
;
_journal_coeditor_code           TK2048
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1482
_journal_page_last               m1484
_journal_paper_doi               10.1107/S1600536806020241
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pt Cl2 (C15 H16 Cl1 N5 O1)2] , 2C3 H7 N O'
_chemical_formula_moiety         'C30 H32 Cl4 N10 O2 Pt , 2C3 H7 N O'
_chemical_formula_sum            'C36 H46 Cl4 N12 O4 Pt'
_chemical_formula_weight         1047.74
_chemical_name_systematic
;
trans-Bis{2-chloro-6-[(3-hydroxybenzyl)amino]-9-isopropylpurine-
\kN⁷}platinum(II) dimethylformamide disolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 96.723(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.4136(4)
_cell_length_b                   20.0628(10)
_cell_length_c                   10.9064(5)
_cell_measurement_reflns_used    9013
_cell_measurement_temperature    105(2)
_cell_measurement_theta_max      29.5
_cell_measurement_theta_min      1.9
_cell_volume                     2045.65(16)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2002)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2002)'
_computing_data_reduction        'CrysAlis RED'
_computing_molecular_graphics    'ORTEPIII (Johnson & Burnett, 1996)'
_computing_publication_material  'SHELXL97 and PARST (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      105(2)
_diffrn_detector_area_resol_mean 16.3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Xcalibur2'
_diffrn_measurement_method       'Rotation method, ω'
_diffrn_radiation_monochromator  'Enhance (Oxford Diffraction)'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_av_sigmaI/netI    0.019
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12305
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.7
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.746
_exptl_absorpt_correction_T_max  0.321
_exptl_absorpt_correction_T_min  0.151
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.00
_refine_diff_density_min         -0.74
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.28
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         3588
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.28
_refine_ls_R_factor_all          0.037
_refine_ls_R_factor_gt           0.034
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0275P)²+P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.077
_refine_ls_wR_factor_ref         0.086
_reflns_number_gt                3395
_reflns_number_total             3588
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            tk2048.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_geom_angle_publ_flag'
value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_geom_torsion_publ_flag'
value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (4 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_angle_publ_flag' value 'Yes' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_torsion_publ_flag' value 'Yes' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (4
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2209674
_cod_database_fobs_code          2209674
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Pt Pt1 0.5000 0.5000 0.5000 0.01439(10) Uani d S 1
Cl Cl1 0.40035(14) 0.37573(7) 1.12244(11) 0.0241(3) Uani d . 1
N N1 0.4840(4) 0.3793(2) 0.9051(4) 0.0172(9) Uani d . 1
O O1 1.0556(5) 0.1860(2) 0.9201(4) 0.0353(10) Uani d . 1
H H1 1.1449 0.1899 0.9342 0.042 Uiso calc R 1
Cl Cl2 0.71343(13) 0.51968(7) 0.62102(11) 0.0232(3) Uani d . 1
C C2 0.4042(5) 0.4116(2) 0.9770(4) 0.0163(10) Uani d . 1
N N3 0.3252(4) 0.4656(2) 0.9581(4) 0.0156(8) Uani d . 1
C C4 0.3376(5) 0.4903(2) 0.8446(4) 0.0156(10) Uani d . 1
C C5 0.4206(5) 0.4642(2) 0.7588(4) 0.0139(10) Uani d . 1
N N6 0.5682(4) 0.3703(2) 0.7147(4) 0.0183(9) Uani d . 1
H H6A 0.5775 0.3879 0.6421 0.022 Uiso calc R 1
C C6 0.4942(5) 0.4046(2) 0.7921(4) 0.0141(10) Uani d . 1
N N7 0.3994(4) 0.50356(19) 0.6533(4) 0.0137(8) Uani d . 1
C C8 0.3064(5) 0.5499(2) 0.6764(4) 0.0161(10) Uani d . 1
H H8A 0.2722 0.5836 0.6192 0.019 Uiso calc R 1
N N9 0.2655(4) 0.54402(19) 0.7904(4) 0.0136(8) Uani d . 1
C C9 0.6337(5) 0.3060(2) 0.7447(5) 0.0194(11) Uani d . 1
H H9A 0.6326 0.2799 0.6675 0.023 Uiso calc R 1
H H9B 0.5740 0.2818 0.7990 0.023 Uiso calc R 1
C C10 0.7860(5) 0.3082(3) 0.8077(5) 0.0200(11) Uani d . 1
C C11 0.8548(6) 0.2481(3) 0.8379(5) 0.0228(11) Uani d . 1
H H11A 0.8052 0.2073 0.8206 0.027 Uiso calc R 1
C C12 0.9959(6) 0.2471(3) 0.8932(5) 0.0221(11) Uani d . 1
C C13 1.0692(6) 0.3060(3) 0.9187(5) 0.0269(12) Uani d . 1
H H13A 1.1656 0.3053 0.9559 0.032 Uiso calc R 1
C C14 1.0012(6) 0.3658(3) 0.8898(5) 0.0271(12) Uani d . 1
H H14A 1.0511 0.4065 0.9076 0.033 Uiso calc R 1
C C15 0.8596(6) 0.3671(3) 0.8345(5) 0.0231(11) Uani d . 1
H H15A 0.8137 0.4086 0.8152 0.028 Uiso calc R 1
C C16 0.1623(5) 0.5865(2) 0.8475(5) 0.0190(11) Uani d . 1
H H16A 0.1669 0.5736 0.9365 0.023 Uiso calc R 1
C C17 0.0135(6) 0.5731(3) 0.7887(6) 0.0375(15) Uani d . 1
H H17A -0.0083 0.5256 0.7962 0.056 Uiso calc R 1
H H17B 0.0055 0.5854 0.7012 0.056 Uiso calc R 1
H H17C -0.0544 0.5995 0.8302 0.056 Uiso calc R 1
C C18 0.2049(7) 0.6586(3) 0.8426(6) 0.0344(14) Uani d . 1
H H18A 0.3036 0.6639 0.8812 0.052 Uiso calc R 1
H H18B 0.1409 0.6856 0.8871 0.052 Uiso calc R 1
H H18C 0.1979 0.6731 0.7564 0.052 Uiso calc R 1
O O2 1.3289(5) 0.1716(2) 1.0016(4) 0.0373(11) Uani d . 1
N N8 1.5606(5) 0.1500(2) 1.0687(4) 0.0237(10) Uani d . 1
C C19 1.4540(7) 0.1898(3) 1.0282(5) 0.0295(13) Uani d . 1
H H19A 1.4749 0.2357 1.0188 0.035 Uiso calc R 1
C C20 1.5391(6) 0.0796(3) 1.0895(6) 0.0285(13) Uani d . 1
H H20A 1.4363 0.0702 1.0833 0.043 Uiso calc R 1
H H20B 1.5843 0.0675 1.1719 0.043 Uiso calc R 1
H H20C 1.5820 0.0537 1.0272 0.043 Uiso calc R 1
C C21 1.7070(6) 0.1730(3) 1.0968(7) 0.0379(15) Uani d . 1
H H21A 1.7137 0.2195 1.0706 0.057 Uiso calc R 1
H H21B 1.7703 0.1453 1.0530 0.057 Uiso calc R 1
H H21C 1.7356 0.1697 1.1860 0.057 Uiso calc R 1
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'
Pt Pt -1.7033 8.3905 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N7 Pt1 N7 . 3_666 180 ?
N7 Pt1 Cl2 . . 88.94(12) yes
N7 Pt1 Cl2 3_666 . 91.06(12) ?
N7 Pt1 Cl2 . 3_666 91.06(12) y
N7 Pt1 Cl2 3_666 3_666 88.94(12) ?
Cl2 Pt1 Cl2 . 3_666 180 ?
C2 N1 C6 . . 117.7(4) ?
C12 O1 H1 . . 109.5 ?
N3 C2 N1 . . 131.5(5) ?
N3 C2 Cl1 . . 114.3(4) ?
N1 C2 Cl1 . . 114.2(4) ?
C2 N3 C4 . . 109.8(4) ?
N3 C4 N9 . . 126.3(4) ?
N3 C4 C5 . . 126.5(5) ?
N9 C4 C5 . . 107.1(4) ?
C4 C5 N7 . . 107.9(4) ?
C4 C5 C6 . . 116.4(4) ?
N7 C5 C6 . . 135.5(4) ?
C6 N6 C9 . . 123.4(4) ?
C6 N6 H6A . . 118.3 ?
C9 N6 H6A . . 118.3 ?
N6 C6 N1 . . 118.7(4) ?
N6 C6 C5 . . 123.2(4) ?
N1 C6 C5 . . 118.0(4) ?
C8 N7 C5 . . 106.0(4) ?
C8 N7 Pt1 . . 124.6(3) ?
C5 N7 Pt1 . . 129.1(3) ?
N7 C8 N9 . . 112.4(4) ?
N7 C8 H8A . . 123.8 ?
N9 C8 H8A . . 123.8 ?
C8 N9 C4 . . 106.6(4) ?
C8 N9 C16 . . 127.4(4) ?
C4 N9 C16 . . 125.9(4) ?
N6 C9 C10 . . 115.4(4) ?
N6 C9 H9A . . 108.4 ?
C10 C9 H9A . . 108.4 ?
N6 C9 H9B . . 108.4 ?
C10 C9 H9B . . 108.4 ?
H9A C9 H9B . . 107.5 ?
C15 C10 C11 . . 118.9(5) ?
C15 C10 C9 . . 123.0(5) ?
C11 C10 C9 . . 118.1(5) ?
C10 C11 C12 . . 120.6(5) ?
C10 C11 H11A . . 119.7 ?
C12 C11 H11A . . 119.7 ?
O1 C12 C13 . . 122.8(5) ?
O1 C12 C11 . . 116.9(5) ?
C13 C12 C11 . . 120.3(5) ?
C12 C13 C14 . . 119.4(5) ?
C12 C13 H13A . . 120.3 ?
C14 C13 H13A . . 120.3 ?
C13 C14 C15 . . 120.6(5) ?
C13 C14 H14A . . 119.7 ?
C15 C14 H14A . . 119.7 ?
C10 C15 C14 . . 120.3(5) ?
C10 C15 H15A . . 119.9 ?
C14 C15 H15A . . 119.9 ?
N9 C16 C17 . . 110.1(4) ?
N9 C16 C18 . . 110.3(4) ?
C17 C16 C18 . . 113.5(5) ?
N9 C16 H16A . . 107.6 ?
C17 C16 H16A . . 107.6 ?
C18 C16 H16A . . 107.6 ?
C16 C17 H17A . . 109.5 ?
C16 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C16 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C16 C18 H18A . . 109.5 ?
C16 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
C16 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
C19 N8 C20 . . 121.9(5) ?
C19 N8 C21 . . 123.0(5) ?
C20 N8 C21 . . 115.1(5) ?
O2 C19 N8 . . 124.6(6) ?
O2 C19 H19A . . 117.7 ?
N8 C19 H19A . . 117.7 ?
N8 C20 H20A . . 109.5 ?
N8 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
N8 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
N8 C21 H21A . . 109.5 ?
N8 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
N8 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 N7 . 2.017(4) yes
Pt1 N7 3_666 2.017(4) ?
Pt1 Cl2 . 2.3052(12) yes
Pt1 Cl2 3_666 2.3052(12) ?
Cl1 C2 . 1.746(5) ?
N1 C2 . 1.319(7) ?
N1 C6 . 1.347(6) ?
O1 C12 . 1.366(6) ?
O1 H1 . 0.8400 ?
C2 N3 . 1.315(6) ?
N3 C4 . 1.351(6) ?
C4 N9 . 1.371(6) ?
C4 C5 . 1.389(7) ?
C5 N7 . 1.390(6) ?
C5 C6 . 1.410(7) ?
N6 C6 . 1.344(6) ?
N6 C9 . 1.451(6) ?
N6 H6A . 0.8800 ?
N7 C8 . 1.322(6) ?
C8 N9 . 1.349(6) ?
C8 H8A . 0.9500 ?
N9 C16 . 1.484(6) ?
C9 C10 . 1.517(7) ?
C9 H9A . 0.9900 ?
C9 H9B . 0.9900 ?
C10 C15 . 1.383(8) ?
C10 C11 . 1.391(7) ?
C11 C12 . 1.393(8) ?
C11 H11A . 0.9500 ?
C12 C13 . 1.379(8) ?
C13 C14 . 1.380(8) ?
C13 H13A . 0.9500 ?
C14 C15 . 1.397(8) ?
C14 H14A . 0.9500 ?
C15 H15A . 0.9500 ?
C16 C17 . 1.495(8) ?
C16 C18 . 1.503(8) ?
C16 H16A . 1.0000 ?
C17 H17A . 0.9800 ?
C17 H17B . 0.9800 ?
C17 H17C . 0.9800 ?
C18 H18A . 0.9800 ?
C18 H18B . 0.9800 ?
C18 H18C . 0.9800 ?
O2 C19 . 1.235(7) ?
N8 C19 . 1.317(7) ?
N8 C20 . 1.447(7) ?
N8 C21 . 1.451(7) ?
C19 H19A . 0.9500 ?
C20 H20A . 0.9800 ?
C20 H20B . 0.9800 ?
C20 H20C . 0.9800 ?
C21 H21A . 0.9800 ?
C21 H21B . 0.9800 ?
C21 H21C . 0.9800 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1 H1 O2 . 0.84 1.84 2.637(6) 159
C20 H20C Cl2 2_746 0.98 2.74 3.660(6) 156
C20 H20A Cl2 4_666 0.98 2.83 3.706(6) 149
C18 H18A Cl1 3_667 0.98 2.90 3.755(6) 146
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_site_symmetry_1
_geom_torsion
_geom_torsion_publ_flag
C6 N1 C2 N3 . 2.3(8) ?
C6 N1 C2 Cl1 . -178.9(3) ?
N1 C2 N3 C4 . -2.5(7) ?
Cl1 C2 N3 C4 . 178.8(3) ?
C2 N3 C4 N9 . 176.5(5) ?
C2 N3 C4 C5 . -0.4(7) ?
N3 C4 C5 N7 . 178.3(4) ?
N9 C4 C5 N7 . 0.9(5) ?
N3 C4 C5 C6 . 2.9(7) ?
N9 C4 C5 C6 . -174.5(4) ?
C9 N6 C6 N1 . 2.4(7) ?
C9 N6 C6 C5 . -174.4(4) yes
C2 N1 C6 N6 . -176.2(4) ?
C2 N1 C6 C5 . 0.7(7) ?
C4 C5 C6 N6 . 173.9(4) ?
N7 C5 C6 N6 . 0.1(9) ?
C4 C5 C6 N1 . -3.0(6) ?
N7 C5 C6 N1 . -176.7(5) ?
C4 C5 N7 C8 . -0.8(5) ?
C6 C5 N7 C8 . 173.3(5) ?
C4 C5 N7 Pt1 . 173.4(3) ?
C6 C5 N7 Pt1 . -12.4(8) ?
Cl2 Pt1 N7 C8 . 113.9(4) ?
Cl2 Pt1 N7 C8 3_666 -66.1(4) ?
Cl2 Pt1 N7 C5 . -59.3(4) yes
Cl2 Pt1 N7 C5 3_666 120.7(4) ?
C5 N7 C8 N9 . 0.4(5) ?
Pt1 N7 C8 N9 . -174.2(3) ?
N7 C8 N9 C4 . 0.2(6) ?
N7 C8 N9 C16 . -179.4(4) ?
N3 C4 N9 C8 . -178.1(5) ?
C5 C4 N9 C8 . -0.7(5) ?
N3 C4 N9 C16 . 1.5(8) ?
C5 C4 N9 C16 . 178.9(4) ?
C6 N6 C9 C10 . -89.7(6) yes
N6 C9 C10 C15 . -0.5(7) ?
N6 C9 C10 C11 . -179.5(4) yes
C15 C10 C11 C12 . -0.6(8) ?
C9 C10 C11 C12 . 178.5(5) ?
C10 C11 C12 O1 . 179.9(5) ?
C10 C11 C12 C13 . 0.0(8) ?
O1 C12 C13 C14 . -179.4(5) ?
C11 C12 C13 C14 . 0.4(8) ?
C12 C13 C14 C15 . -0.3(8) ?
C11 C10 C15 C14 . 0.7(8) ?
C9 C10 C15 C14 . -178.3(5) ?
C13 C14 C15 C10 . -0.2(8) ?
C8 N9 C16 C17 . 71.7(6) ?
C4 N9 C16 C17 . -107.9(6) ?
C8 N9 C16 C18 . -54.3(7) ?
C4 N9 C16 C18 . 126.2(5) ?
C20 N8 C19 O2 . -1.8(9) ?
C21 N8 C19 O2 . 178.8(6) ?
