#------------------------------------------------------------------------------
#$Date: 2020-05-05 15:45:34 +0300 (Tue, 05 May 2020) $
#$Revision: 251566 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/61/7126162.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_7126162
loop_
_publ_author_name
'Levine, Andrew M.'
'Bu, Guanhong'
'Biswas, Sankarsan'
'Tsai, Esther H. R.'
'Braunschweig, Adam B.'
'Nannenga, Brent L.'
_publ_section_title
;
 Crystal structure and orientation of organic semiconductor thin films by
 microcrystal electron diffraction and grazing-incidence wide-angle X-ray
 scattering.
;
_journal_issue                   30
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4204
_journal_page_last               4207
_journal_paper_doi               10.1039/d0cc00119h
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C25 H17 Cd N2 O6'
_chemical_formula_sum            'C25 H17 Cd N2 O6'
_chemical_formula_weight         553.80
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-03-03 deposited with the CCDC.	2020-03-06 downloaded from the CCDC.
;
_cell_angle_alpha                109.183(7)
_cell_angle_beta                 114.745(6)
_cell_angle_gamma                90.306(5)
_cell_formula_units_Z            2
_cell_length_a                   9.7751(5)
_cell_length_b                   11.1664(8)
_cell_length_c                   11.1677(9)
_cell_measurement_reflns_used    5106
_cell_measurement_temperature    293
_cell_measurement_theta_max      29.4813
_cell_measurement_theta_min      2.7964
_cell_volume                     1030.98(15)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2010'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 10.4170
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.851
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0563
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.851
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4893
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.851
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.490
_diffrn_reflns_theta_min         2.781
_exptl_absorpt_coefficient_mu    1.108
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83416
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.784
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             554
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.096
_refine_diff_density_min         -1.639
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         4893
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0600P)²+4.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1410
_refine_ls_wR_factor_ref         0.1448
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4473
_reflns_number_total             4893
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc00119h2.cif
_cod_data_source_block           Cd-Bpe
_cod_depositor_comments          'Adding full bibliography for 7126162.cif.'
_cod_original_cell_volume        1030.98(14)
_cod_database_code               7126162
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Cd1 Cd 0.09404(4) -0.24555(3) 0.19103(4) 0.02704(13) Uani 1 1 d . . . . .
O1 O 0.9921(7) 1.0500(5) 1.8378(8) 0.0760(18) Uani 1 1 d . . . . .
O2 O 0.7564(8) 1.0490(6) 1.7757(10) 0.096(3) Uani 1 1 d . . . . .
O3 O -0.1459(5) -0.3400(5) 0.0593(6) 0.0558(13) Uani 1 1 d . . . . .
O4 O -0.0926(5) -0.3769(7) 0.2536(6) 0.0733(18) Uani 1 1 d . . . . .
O5 O -0.8158(5) -0.3615(5) 0.0475(5) 0.0471(11) Uani 1 1 d . . . . .
O6 O -0.6440(7) -0.3414(6) 0.2605(6) 0.0662(16) Uani 1 1 d . . . . .
N1 N 0.1927(6) -0.1497(4) 0.4344(5) 0.0381(10) Uani 1 1 d . . . . .
N2 N 0.6916(6) 0.3723(4) 1.3884(5) 0.0372(10) Uani 1 1 d . . . . .
C1 C 0.3390(8) -0.0982(7) 0.5083(7) 0.0507(16) Uani 1 1 d . . . . .
H1 H 0.401749 -0.113577 0.463008 0.061 Uiso 1 1 calc R U . . .
C2 C 0.4028(8) -0.0215(7) 0.6524(8) 0.0539(16) Uani 1 1 d . . . . .
H2 H 0.506675 0.011562 0.702584 0.065 Uiso 1 1 calc R U . . .
C3 C 0.3088(8) 0.0043(6) 0.7184(7) 0.0448(13) Uani 1 1 d . . . . .
C4 C 0.1587(8) -0.0524(8) 0.6428(7) 0.0541(18) Uani 1 1 d . . . . .
H4 H 0.093912 -0.040508 0.685969 0.065 Uiso 1 1 calc R U . . .
C5 C 0.1046(8) -0.1278(7) 0.5009(7) 0.0496(16) Uani 1 1 d . . . . .
H5 H 0.001947 -0.164818 0.449718 0.060 Uiso 1 1 calc R U . . .
C6 C 0.3666(8) 0.0871(6) 0.8707(7) 0.0453(14) Uani 1 1 d . . . . .
H6 H 0.298626 0.095146 0.910292 0.054 Uiso 1 1 calc R U . . .
C7 C 0.5042(8) 0.1482(6) 0.9511(6) 0.0437(13) Uani 1 1 d . . . . .
H7 H 0.572104 0.138742 0.911348 0.052 Uiso 1 1 calc R U . . .
C8 C 0.5625(7) 0.2320(5) 1.1010(6) 0.0374(12) Uani 1 1 d . . . . .
C9 C 0.7145(9) 0.2840(8) 1.1761(7) 0.0567(19) Uani 1 1 d . . . . .
H9 H 0.776403 0.272423 1.130052 0.068 Uiso 1 1 calc R U . . .
C10 C 0.7763(8) 0.3532(8) 1.3190(8) 0.0589(19) Uani 1 1 d . . . . .
H10 H 0.879900 0.387328 1.368297 0.071 Uiso 1 1 calc R U . . .
C11 C 0.5422(9) 0.3328(9) 1.3156(8) 0.062(2) Uani 1 1 d . . . . .
H11 H 0.481292 0.352277 1.362538 0.074 Uiso 1 1 calc R U . . .
C12 C 0.4749(8) 0.2636(9) 1.1726(8) 0.062(2) Uani 1 1 d . . . . .
H12 H 0.369495 0.238074 1.123926 0.075 Uiso 1 1 calc R U . . .
C13 C 0.7641(9) 0.4342(5) 1.5459(6) 0.0467(15) Uani 1 1 d . . . . .
H13A H 0.862208 0.406834 1.583935 0.056 Uiso 1 1 calc R U . . .
H13B H 0.700565 0.403547 1.580688 0.056 Uiso 1 1 calc R U . . .
C14 C 0.7882(7) 0.5790(5) 1.6015(6) 0.0351(11) Uani 1 1 d . . . . .
C15 C 0.7215(11) 0.6511(6) 1.5202(7) 0.064(2) Uani 1 1 d . . . . .
H15 H 0.660184 0.610810 1.423426 0.077 Uiso 1 1 calc R U . . .
C16 C 0.7461(12) 0.7854(6) 1.5834(8) 0.069(2) Uani 1 1 d . . . . .
H16 H 0.700333 0.833660 1.527916 0.083 Uiso 1 1 calc R U . . .
C17 C 0.8366(7) 0.8466(5) 1.7256(6) 0.0374(11) Uani 1 1 d . . . . .
C18 C 0.9025(8) 0.7738(6) 1.8047(6) 0.0499(16) Uani 1 1 d . . . . .
H18 H 0.966202 0.814221 1.900979 0.060 Uiso 1 1 calc R U . . .
C19 C 0.8764(8) 0.6409(5) 1.7444(6) 0.0487(16) Uani 1 1 d . . . . .
H19 H 0.919060 0.593064 1.801235 0.058 Uiso 1 1 calc R U . . .
C20 C 0.8648(8) 0.9935(6) 1.7885(7) 0.0438(13) Uani 1 1 d . . . . .
C21 C -0.1804(6) -0.3863(5) 0.1319(7) 0.0356(12) Uani 1 1 d . . . . .
C22 C -0.3442(5) -0.4498(4) 0.0661(5) 0.0243(9) Uani 1 1 d . . . . .
C23 C -0.4362(5) -0.4008(4) 0.1301(5) 0.0240(8) Uani 1 1 d . . . . .
H23 H -0.393145 -0.334573 0.218236 0.029 Uiso 1 1 calc R U . . .
C24 C -0.5913(5) -0.4482(4) 0.0661(5) 0.0222(8) Uani 1 1 d . . . . .
C25 C -0.6906(6) -0.3809(5) 0.1319(6) 0.0299(10) Uani 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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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
_geom_angle_publ_flag
O5 Cd1 O3 96.71(18) 1_655 . ?
O5 Cd1 N1 133.82(17) 1_655 . ?
O3 Cd1 N1 121.37(19) . . ?
O5 Cd1 O1 118.0(2) 1_655 2_667 ?
O3 Cd1 O1 87.0(2) . 2_667 ?
N1 Cd1 O1 91.1(2) . 2_667 ?
O5 Cd1 O2 89.9(2) 1_655 2_667 ?
O3 Cd1 O2 134.5(3) . 2_667 ?
N1 Cd1 O2 81.5(3) . 2_667 ?
O1 Cd1 O2 51.2(2) 2_667 2_667 ?
C20 O1 Cd1 93.5(5) . 2_667 ?
C20 O2 Cd1 90.9(5) . 2_667 ?
C21 O3 Cd1 106.1(4) . . ?
C25 O5 Cd1 102.8(3) . 1_455 ?
C1 N1 C5 118.2(5) . . ?
C1 N1 Cd1 118.6(4) . . ?
C5 N1 Cd1 122.5(4) . . ?
C10 N2 C11 118.8(5) . . ?
C10 N2 C13 120.5(6) . . ?
C11 N2 C13 120.7(6) . . ?
N1 C1 C2 122.3(6) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C3 C2 C1 118.8(6) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C4 C3 C2 118.6(6) . . ?
C4 C3 C6 118.9(6) . . ?
C2 C3 C6 122.4(6) . . ?
C3 C4 C5 118.9(6) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
N1 C5 C4 123.1(6) . . ?
N1 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
C7 C6 C3 124.4(6) . . ?
C7 C6 H6 117.8 . . ?
C3 C6 H6 117.8 . . ?
C6 C7 C8 125.1(6) . . ?
C6 C7 H7 117.4 . . ?
C8 C7 H7 117.4 . . ?
C9 C8 C12 116.6(5) . . ?
C9 C8 C7 118.7(6) . . ?
C12 C8 C7 124.7(6) . . ?
C10 C9 C8 120.5(7) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
N2 C10 C9 121.5(6) . . ?
N2 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
N2 C11 C12 121.7(7) . . ?
N2 C11 H11 119.1 . . ?
C12 C11 H11 119.1 . . ?
C8 C12 C11 120.3(7) . . ?
C8 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
N2 C13 C14 114.6(4) . . ?
N2 C13 H13A 108.6 . . ?
C14 C13 H13A 108.6 . . ?
N2 C13 H13B 108.6 . . ?
C14 C13 H13B 108.6 . . ?
H13A C13 H13B 107.6 . . ?
C19 C14 C15 118.8(5) . . ?
C19 C14 C13 116.8(5) . . ?
C15 C14 C13 124.3(5) . . ?
C14 C15 C16 119.8(6) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 H15 120.1 . . ?
C17 C16 C15 121.0(6) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C18 C17 C16 118.5(5) . . ?
C18 C17 C20 122.5(5) . . ?
C16 C17 C20 119.0(5) . . ?
C17 C18 C19 121.2(5) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 H18 119.4 . . ?
C14 C19 C18 120.6(5) . . ?
C14 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
O1 C20 O2 122.0(6) . . ?
O1 C20 C17 118.7(6) . . ?
O2 C20 C17 118.9(6) . . ?
O4 C21 O3 124.3(6) . . ?
O4 C21 C22 119.9(6) . . ?
O3 C21 C22 115.7(5) . . ?
C23 C22 C24 119.3(4) . 2_445 ?
C23 C22 C21 119.7(4) . . ?
C24 C22 C21 120.8(4) 2_445 . ?
C22 C23 C24 121.6(4) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C23 C24 C22 119.2(4) . 2_445 ?
C23 C24 C25 119.5(4) . . ?
C22 C24 C25 121.1(4) 2_445 . ?
O6 C25 O5 123.8(5) . . ?
O6 C25 C24 120.1(5) . . ?
O5 C25 C24 115.9(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd1 O5 2.203(4) 1_655 ?
Cd1 O3 2.201(4) . ?
Cd1 N1 2.312(5) . ?
Cd1 O1 2.416(6) 2_667 ?
Cd1 O2 2.463(7) 2_667 ?
O1 C20 1.200(9) . ?
O2 C20 1.211(9) . ?
O3 C21 1.241(8) . ?
O4 C21 1.235(8) . ?
O5 C25 1.266(7) . ?
O6 C25 1.224(8) . ?
N1 C1 1.323(8) . ?
N1 C5 1.331(8) . ?
N2 C10 1.328(9) . ?
N2 C11 1.323(9) . ?
N2 C13 1.492(7) . ?
C1 C2 1.400(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.379(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.367(10) . ?
C3 C6 1.491(8) . ?
C4 C5 1.384(9) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.288(9) . ?
C6 H6 0.9300 . ?
C7 C8 1.473(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.370(9) . ?
C8 C12 1.374(10) . ?
C9 C10 1.373(10) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.373(10) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.507(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C19 1.373(8) . ?
C14 C15 1.374(8) . ?
C15 C16 1.401(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.369(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.363(8) . ?
C17 C20 1.528(8) . ?
C18 C19 1.385(8) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C21 C22 1.506(6) . ?
C22 C23 1.380(7) . ?
C22 C24 1.408(6) 2_445 ?
C23 C24 1.388(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.513(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
_geom_torsion_publ_flag
C5 N1 C1 C2 -0.5(11) . . . . ?
Cd1 N1 C1 C2 170.0(6) . . . . ?
N1 C1 C2 C3 -1.9(12) . . . . ?
C1 C2 C3 C4 3.8(11) . . . . ?
C1 C2 C3 C6 -178.8(6) . . . . ?
C2 C3 C4 C5 -3.5(11) . . . . ?
C6 C3 C4 C5 179.1(7) . . . . ?
C1 N1 C5 C4 0.9(11) . . . . ?
Cd1 N1 C5 C4 -169.2(6) . . . . ?
C3 C4 C5 N1 1.1(13) . . . . ?
C4 C3 C6 C7 -177.8(7) . . . . ?
C2 C3 C6 C7 4.8(11) . . . . ?
C3 C6 C7 C8 179.0(6) . . . . ?
C6 C7 C8 C9 175.6(7) . . . . ?
C6 C7 C8 C12 -4.9(10) . . . . ?
C12 C8 C9 C10 6.3(11) . . . . ?
C7 C8 C9 C10 -174.1(7) . . . . ?
C11 N2 C10 C9 -5.6(12) . . . . ?
C13 N2 C10 C9 172.8(7) . . . . ?
C8 C9 C10 N2 -0.3(14) . . . . ?
C10 N2 C11 C12 5.4(12) . . . . ?
C13 N2 C11 C12 -173.0(8) . . . . ?
C9 C8 C12 C11 -6.6(12) . . . . ?
C7 C8 C12 C11 173.9(7) . . . . ?
N2 C11 C12 C8 0.8(15) . . . . ?
C10 N2 C13 C14 86.3(8) . . . . ?
C11 N2 C13 C14 -95.3(8) . . . . ?
N2 C13 C14 C19 -169.7(6) . . . . ?
N2 C13 C14 C15 14.0(11) . . . . ?
C19 C14 C15 C16 0.9(13) . . . . ?
C13 C14 C15 C16 177.2(8) . . . . ?
C14 C15 C16 C17 0.3(15) . . . . ?
C15 C16 C17 C18 0.0(13) . . . . ?
C15 C16 C17 C20 177.7(8) . . . . ?
C16 C17 C18 C19 -1.5(12) . . . . ?
C20 C17 C18 C19 -179.2(7) . . . . ?
C15 C14 C19 C18 -2.5(12) . . . . ?
C13 C14 C19 C18 -179.0(7) . . . . ?
C17 C18 C19 C14 2.8(12) . . . . ?
Cd1 O1 C20 O2 -16.3(9) 2_667 . . . ?
Cd1 O1 C20 C17 157.0(5) 2_667 . . . ?
Cd1 O2 C20 O1 16.0(9) 2_667 . . . ?
Cd1 O2 C20 C17 -157.3(5) 2_667 . . . ?
C18 C17 C20 O1 62.6(10) . . . . ?
C16 C17 C20 O1 -115.0(9) . . . . ?
C18 C17 C20 O2 -123.9(9) . . . . ?
C16 C17 C20 O2 58.5(10) . . . . ?
Cd1 O3 C21 O4 0.6(8) . . . . ?
Cd1 O3 C21 C22 176.5(3) . . . . ?
O4 C21 C22 C23 58.9(7) . . . . ?
O3 C21 C22 C23 -117.2(6) . . . . ?
O4 C21 C22 C24 -126.5(6) . . . 2_445 ?
O3 C21 C22 C24 57.4(7) . . . 2_445 ?
C24 C22 C23 C24 -1.3(7) 2_445 . . . ?
C21 C22 C23 C24 173.5(5) . . . . ?
C22 C23 C24 C22 1.3(7) . . . 2_445 ?
C22 C23 C24 C25 -172.6(5) . . . . ?
Cd1 O5 C25 O6 1.0(7) 1_455 . . . ?
Cd1 O5 C25 C24 -174.1(3) 1_455 . . . ?
C23 C24 C25 O6 -41.2(7) . . . . ?
C22 C24 C25 O6 145.1(6) 2_445 . . . ?
C23 C24 C25 O5 134.1(5) . . . . ?
C22 C24 C25 O5 -39.6(7) 2_445 . . . ?
