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#$Date: 2021-09-15 12:06:18 +0300 (Wed, 15 Sep 2021) $
#$Revision: 269153 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/46/1564655.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_1564655
loop_
_publ_author_name
'Abo-Amer, Anwar'
'Boyle, Paul D.'
'Puddephatt, Richard J.'
_publ_section_title
;
 Push-pull ligands and the oxidation of monomethylplatinum(II) complexes
 with oxygen or hydrogen peroxide
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119580
_journal_paper_doi               10.1016/j.ica.2020.119580
_journal_volume                  507
_journal_year                    2020
_chemical_formula_sum            'C20 H26 Cl N3 O4 Pt'
_chemical_formula_weight         602.98
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 107.866(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9331(19)
_cell_length_b                   20.468(4)
_cell_length_c                   11.961(2)
_cell_measurement_reflns_used    9939
_cell_measurement_temperature    110
_cell_measurement_theta_max      32.33
_cell_measurement_theta_min      2.42
_cell_volume                     2547.5(8)
_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXT
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            117929
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         36.400
_diffrn_reflns_theta_min         2.424
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    5.639
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.4747
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_description       needle
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.335
_exptl_crystal_size_mid          0.055
_exptl_crystal_size_min          0.048
_refine_diff_density_max         3.045
_refine_diff_density_min         -2.121
_refine_diff_density_rms         0.158
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         12379
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0380P)²+4.0421P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0794
_refine_ls_wR_factor_ref         0.0868
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9302
_reflns_number_total             12379
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2020-507-119580.cif
_cod_data_source_block           4
_cod_original_cell_volume        2547.4(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1564655
_shelx_shelxl_version_number     2016/6
_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   0.254
_shelx_estimated_absorpt_t_max   0.774
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_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
Pt1 Pt 0.63367(2) 0.81731(2) 0.65650(2) 0.02016(3) Uani 1 1 d . . . . .
O1 O 0.5380(2) 0.86176(10) 0.50279(18) 0.0236(4) Uani 1 1 d . . . . .
O2 O 0.7273(2) 0.77336(11) 0.80767(19) 0.0283(5) Uani 1 1 d . . . . .
H2H H 0.807872 0.771025 0.829296 0.042 Uiso 1 1 d R U . . .
N1 N 0.8026(3) 0.85323(15) 0.6496(2) 0.0285(5) Uani 1 1 d . . . . .
N2 N 0.6339(2) 0.90483(11) 0.7528(2) 0.0199(4) Uani 1 1 d . . . . .
N3 N 0.4696(3) 0.79976(12) 0.6941(2) 0.0216(4) Uani 1 1 d . . . . .
C1 C 0.6405(4) 0.73283(16) 0.5667(3) 0.0324(7) Uani 1 1 d . . . . .
H1A H 0.728842 0.716289 0.590037 0.049 Uiso 1 1 calc R U . . .
H1B H 0.611815 0.741706 0.482089 0.049 Uiso 1 1 calc R U . . .
H1C H 0.584037 0.700094 0.584968 0.049 Uiso 1 1 calc R U . . .
C2 C 0.8687(4) 0.8352(2) 0.5754(3) 0.0391(9) Uani 1 1 d . . . . .
H2 H 0.834984 0.802075 0.518729 0.047 Uiso 1 1 calc R U . . .
C3 C 0.9839(4) 0.8643(3) 0.5809(4) 0.0485(11) Uani 1 1 d . . . . .
H3 H 1.028862 0.851755 0.527831 0.058 Uiso 1 1 calc R U . . .
C4 C 1.0326(4) 0.9112(3) 0.6628(4) 0.0523(13) Uani 1 1 d . . . . .
H4 H 1.113167 0.930667 0.668571 0.063 Uiso 1 1 calc R U . . .
C5 C 0.9643(3) 0.9308(2) 0.7387(4) 0.0404(9) Uani 1 1 d . . . . .
H5 H 0.996931 0.964250 0.795163 0.048 Uiso 1 1 calc R U . . .
C6 C 0.8487(3) 0.90075(18) 0.7301(3) 0.0306(7) Uani 1 1 d . . . . .
C7 C 0.7727(3) 0.91664(17) 0.8126(3) 0.0279(6) Uani 1 1 d . . . . .
H7A H 0.802394 0.888959 0.883690 0.033 Uiso 1 1 calc R U . . .
H7B H 0.786387 0.962937 0.837203 0.033 Uiso 1 1 calc R U . . .
C8 C 0.5588(3) 0.88863(14) 0.8334(2) 0.0214(5) Uani 1 1 d . . . . .
H8A H 0.520471 0.929064 0.853527 0.026 Uiso 1 1 calc R U . . .
H8B H 0.617018 0.870112 0.907042 0.026 Uiso 1 1 calc R U . . .
C9 C 0.4534(3) 0.84017(14) 0.7787(2) 0.0209(5) Uani 1 1 d . . . . .
C10 C 0.3454(3) 0.83495(17) 0.8159(3) 0.0283(6) Uani 1 1 d . . . . .
H10 H 0.334550 0.863336 0.875030 0.034 Uiso 1 1 calc R U . . .
C11 C 0.2538(3) 0.7882(2) 0.7664(4) 0.0373(8) Uani 1 1 d . . . . .
H11 H 0.180517 0.783466 0.792489 0.045 Uiso 1 1 calc R U . . .
C12 C 0.2694(4) 0.74837(19) 0.6788(4) 0.0383(8) Uani 1 1 d . . . . .
H12 H 0.206157 0.716693 0.642612 0.046 Uiso 1 1 calc R U . . .
C13 C 0.3784(3) 0.75514(17) 0.6442(3) 0.0321(7) Uani 1 1 d . . . . .
H13 H 0.389232 0.727712 0.583880 0.039 Uiso 1 1 calc R U . . .
C14 C 0.5783(3) 0.96160(13) 0.6739(3) 0.0215(5) Uani 1 1 d . . . . .
H14A H 0.571848 0.999683 0.722792 0.026 Uiso 1 1 calc R U . . .
H14B H 0.637356 0.973451 0.628795 0.026 Uiso 1 1 calc R U . . .
C15 C 0.4478(3) 0.94726(14) 0.5895(2) 0.0209(5) Uani 1 1 d . . . . .
C16 C 0.3411(3) 0.98415(15) 0.5901(3) 0.0268(6) Uani 1 1 d . . . . .
H16 H 0.348950 1.016452 0.648951 0.032 Uiso 1 1 calc R U . . .
C17 C 0.2235(3) 0.97416(17) 0.5057(3) 0.0314(7) Uani 1 1 d . . . . .
H17 H 0.151492 0.999984 0.506141 0.038 Uiso 1 1 calc R U . . .
C18 C 0.2109(3) 0.92667(18) 0.4208(3) 0.0334(7) Uani 1 1 d . . . . .
H18 H 0.130395 0.920226 0.362462 0.040 Uiso 1 1 calc R U . . .
C19 C 0.3158(3) 0.88827(16) 0.4206(3) 0.0282(6) Uani 1 1 d . . . . .
H19 H 0.306124 0.854845 0.363408 0.034 Uiso 1 1 calc R U . . .
C20 C 0.4353(3) 0.89868(14) 0.5040(3) 0.0219(5) Uani 1 1 d . . . . .
O1W O 0.6207(3) 0.85084(13) 0.3116(2) 0.0417(7) Uani 1 1 d . . . . .
H1WA H 0.594911 0.854315 0.370672 0.062 Uiso 1 1 d R U . . .
H1WB H 0.652781 0.813684 0.310152 0.062 Uiso 1 1 d R U . . .
O2W O 0.8438(4) 0.91546(19) 0.2847(4) 0.0688(10) Uani 1 1 d . . . . .
H2WA H 0.778529 0.896744 0.292401 0.103 Uiso 1 1 d R U . . .
H2WB H 0.889047 0.888594 0.261669 0.103 Uiso 1 1 d R U . . .
Cl0 Cl 0.2773(4) 0.9920(2) 0.9363(3) 0.0470(10) Uani 0.300(3) 1 d . . P A 1
Cl1 Cl 0.3314(14) 1.0116(6) 0.8964(11) 0.095(4) Uani 0.172(3) 1 d . . P B 2
Cl2 Cl 0.6036(6) 1.08504(18) 0.9030(3) 0.0557(13) Uani 0.298(3) 1 d . . P C 3
Cl3 Cl 0.4929(10) 0.5839(4) 0.6138(5) 0.080(3) Uani 0.229(3) 1 d . . P D 4
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O2 Pt1 N3 87.80(10) . .
O2 Pt1 N1 88.84(11) . .
N3 Pt1 N1 165.25(11) . .
O2 Pt1 O1 179.79(10) . .
N3 Pt1 O1 92.03(10) . .
N1 Pt1 O1 91.36(10) . .
O2 Pt1 C1 90.20(12) . .
N3 Pt1 C1 98.33(13) . .
N1 Pt1 C1 96.04(14) . .
O1 Pt1 C1 89.71(11) . .
O2 Pt1 N2 88.52(9) . .
N3 Pt1 N2 83.24(10) . .
N1 Pt1 N2 82.32(11) . .
O1 Pt1 N2 91.58(9) . .
C1 Pt1 N2 177.94(13) . .
C20 O1 Pt1 115.96(17) . .
Pt1 O2 H2H 120.1 . .
C6 N1 C2 120.3(3) . .
C6 N1 Pt1 112.3(2) . .
C2 N1 Pt1 127.4(3) . .
C8 N2 C7 114.2(2) . .
C8 N2 C14 112.6(2) . .
C7 N2 C14 109.4(2) . .
C8 N2 Pt1 104.77(16) . .
C7 N2 Pt1 103.21(19) . .
C14 N2 Pt1 112.19(17) . .
C13 N3 C9 119.6(3) . .
C13 N3 Pt1 127.7(2) . .
C9 N3 Pt1 112.71(19) . .
Pt1 C1 H1A 109.5 . .
Pt1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Pt1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 C3 121.0(4) . .
N1 C2 H2 119.5 . .
C3 C2 H2 119.5 . .
C4 C3 C2 119.4(4) . .
C4 C3 H3 120.3 . .
C2 C3 H3 120.3 . .
C3 C4 C5 120.1(4) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C6 C5 C4 118.7(4) . .
C6 C5 H5 120.6 . .
C4 C5 H5 120.6 . .
N1 C6 C5 120.5(3) . .
N1 C6 C7 117.5(3) . .
C5 C6 C7 122.0(4) . .
N2 C7 C6 109.7(3) . .
N2 C7 H7A 109.7 . .
C6 C7 H7A 109.7 . .
N2 C7 H7B 109.7 . .
C6 C7 H7B 109.7 . .
H7A C7 H7B 108.2 . .
N2 C8 C9 111.4(2) . .
N2 C8 H8A 109.3 . .
C9 C8 H8A 109.3 . .
N2 C8 H8B 109.3 . .
C9 C8 H8B 109.3 . .
H8A C8 H8B 108.0 . .
N3 C9 C10 120.6(3) . .
N3 C9 C8 117.8(3) . .
C10 C9 C8 121.5(3) . .
C11 C10 C9 119.5(3) . .
C11 C10 H10 120.3 . .
C9 C10 H10 120.3 . .
C12 C11 C10 119.6(3) . .
C12 C11 H11 120.2 . .
C10 C11 H11 120.2 . .
C11 C12 C13 119.2(3) . .
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 . .
N3 C13 C12 121.6(3) . .
N3 C13 H13 119.2 . .
C12 C13 H13 119.2 . .
C15 C14 N2 112.9(2) . .
C15 C14 H14A 109.0 . .
N2 C14 H14A 109.0 . .
C15 C14 H14B 109.0 . .
N2 C14 H14B 109.0 . .
H14A C14 H14B 107.8 . .
C16 C15 C20 119.6(3) . .
C16 C15 C14 121.0(3) . .
C20 C15 C14 119.2(3) . .
C17 C16 C15 120.5(3) . .
C17 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
C18 C17 C16 120.1(3) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C19 120.2(3) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
C18 C19 C20 120.2(3) . .
C18 C19 H19 119.9 . .
C20 C19 H19 119.9 . .
O1 C20 C19 120.2(3) . .
O1 C20 C15 120.5(3) . .
C19 C20 C15 119.3(3) . .
H1WA O1W H1WB 110.1 . .
H2WA O2W H2WB 110.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 O2 1.998(2) .
Pt1 N3 2.011(3) .
Pt1 N1 2.013(3) .
Pt1 O1 2.030(2) .
Pt1 C1 2.049(3) .
Pt1 N2 2.129(2) .
O1 C20 1.357(4) .
O2 H2H 0.8401 .
N1 C6 1.352(5) .
N1 C2 1.356(4) .
N2 C8 1.483(4) .
N2 C7 1.486(4) .
N2 C14 1.503(4) .
N3 C13 1.349(4) .
N3 C9 1.359(4) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.376(6) .
C2 H2 0.9500 .
C3 C4 1.357(8) .
C3 H3 0.9500 .
C4 C5 1.400(6) .
C4 H4 0.9500 .
C5 C6 1.381(5) .
C5 H5 0.9500 .
C6 C7 1.508(5) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.509(4) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.389(4) .
C10 C11 1.380(5) .
C10 H10 0.9500 .
C11 C12 1.379(6) .
C11 H11 0.9500 .
C12 C13 1.382(5) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.502(4) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.392(4) .
C15 C20 1.402(4) .
C16 C17 1.384(5) .
C16 H16 0.9500 .
C17 C18 1.381(6) .
C17 H17 0.9500 .
C18 C19 1.391(5) .
C18 H18 0.9500 .
C19 C20 1.396(4) .
C19 H19 0.9500 .
O1W H1WA 0.8400 .
O1W H1WB 0.8400 .
O2W H2WA 0.8400 .
O2W H2WB 0.8400 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C8 H8A Cl1 0.99 2.84 3.773(14) 158.2 .
C10 H10 Cl0 0.95 2.85 3.690(5) 147.4 .
C10 H10 Cl2 0.95 2.74 3.626(5) 155.0 3_677
C13 H13 Cl2 0.95 2.92 3.542(5) 123.8 2_646
C14 H14A Cl2 0.99 2.71 3.675(4) 164.1 .
C14 H14A Cl3 0.99 2.85 3.813(7) 163.4 2_656
O1W H1WA O1 0.84 1.87 2.714(3) 179.7 .
O1W H1WB O2 0.84 1.96 2.803(4) 179.6 4_575
O2W H2WA O1W 0.84 2.04 2.879(5) 179.6 .
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 N1 C2 C3 0.6(5) . . . .
Pt1 N1 C2 C3 180.0(3) . . . .
N1 C2 C3 C4 0.8(6) . . . .
C2 C3 C4 C5 -1.7(6) . . . .
C3 C4 C5 C6 1.3(6) . . . .
C2 N1 C6 C5 -0.9(5) . . . .
Pt1 N1 C6 C5 179.6(3) . . . .
C2 N1 C6 C7 -177.9(3) . . . .
Pt1 N1 C6 C7 2.6(4) . . . .
C4 C5 C6 N1 0.0(5) . . . .
C4 C5 C6 C7 176.8(3) . . . .
C8 N2 C7 C6 153.1(3) . . . .
C14 N2 C7 C6 -79.7(3) . . . .
Pt1 N2 C7 C6 39.9(3) . . . .
N1 C6 C7 N2 -30.9(4) . . . .
C5 C6 C7 N2 152.2(3) . . . .
C7 N2 C8 C9 -145.2(3) . . . .
C14 N2 C8 C9 89.2(3) . . . .
Pt1 N2 C8 C9 -33.0(3) . . . .
C13 N3 C9 C10 1.4(4) . . . .
Pt1 N3 C9 C10 -179.9(2) . . . .
C13 N3 C9 C8 179.1(3) . . . .
Pt1 N3 C9 C8 -2.3(3) . . . .
N2 C8 C9 N3 25.5(4) . . . .
N2 C8 C9 C10 -156.9(3) . . . .
N3 C9 C10 C11 0.0(5) . . . .
C8 C9 C10 C11 -177.5(3) . . . .
C9 C10 C11 C12 -1.5(5) . . . .
C10 C11 C12 C13 1.5(5) . . . .
C9 N3 C13 C12 -1.4(5) . . . .
Pt1 N3 C13 C12 -179.9(3) . . . .
C11 C12 C13 N3 0.0(5) . . . .
C8 N2 C14 C15 -65.2(3) . . . .
C7 N2 C14 C15 166.6(2) . . . .
Pt1 N2 C14 C15 52.7(3) . . . .
N2 C14 C15 C16 119.9(3) . . . .
N2 C14 C15 C20 -64.2(3) . . . .
C20 C15 C16 C17 -1.3(4) . . . .
C14 C15 C16 C17 174.5(3) . . . .
C15 C16 C17 C18 0.9(5) . . . .
C16 C17 C18 C19 0.7(5) . . . .
C17 C18 C19 C20 -1.8(5) . . . .
Pt1 O1 C20 C19 -127.1(2) . . . .
Pt1 O1 C20 C15 52.5(3) . . . .
C18 C19 C20 O1 -179.1(3) . . . .
C18 C19 C20 C15 1.3(4) . . . .
C16 C15 C20 O1 -179.3(3) . . . .
C14 C15 C20 O1 4.8(4) . . . .
C16 C15 C20 C19 0.2(4) . . . .
C14 C15 C20 C19 -175.7(3) . . . .
