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#$Date: 2021-09-06 15:32:05 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268948 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/81/7158187.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_7158187
loop_
_publ_author_name
'Tajti, Ádám'
'Szabó, Kármen Emőke'
'Popovics-Tóth, Nóra'
'Iskanderov, Javad'
'Perdih, Franc'
'Hackler, László'
'Kari, Beáta'
'Puskás, László G'
'Bálint, Erika'
_publ_section_title
;
 PMDTA-catalyzed multicomponent synthesis and biological activity of
 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.
;
_journal_issue                   31
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              6883
_journal_page_last               6891
_journal_paper_doi               10.1039/d1ob01204e
_journal_volume                  19
_journal_year                    2021
_chemical_formula_moiety         'C26 H25 N2 O5 P'
_chemical_formula_sum            'C26 H25 N2 O5 P'
_chemical_formula_weight         476.45
_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   mixed
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-05-13 deposited with the CCDC.	2021-07-22 downloaded from the CCDC.
;
_cell_angle_alpha                102.791(4)
_cell_angle_beta                 101.823(4)
_cell_angle_gamma                90.163(3)
_cell_formula_units_Z            2
_cell_length_a                   9.9066(4)
_cell_length_b                   9.9454(4)
_cell_length_c                   12.3415(6)
_cell_measurement_reflns_used    4996
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      74.4510
_cell_measurement_theta_min      3.7230
_cell_volume                     1159.14(9)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4933
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7877
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.074
_diffrn_reflns_theta_min         3.757
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.398
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_description       prism
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.317
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     314
_refine_ls_number_reflns         4385
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0710P)²+0.2759P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1130
_refine_ls_wR_factor_ref         0.1163
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4086
_reflns_number_total             4385
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ob01204e2.cif
_cod_data_source_block           Structure-13
_cod_depositor_comments
'Adding full bibliography for 7158185--7158189.cif.'
_cod_database_code               7158187
_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.
;
_shelx_estimated_absorpt_t_min   0.542
_shelx_estimated_absorpt_t_max   0.818
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
P1 P 0.75173(4) 0.69643(3) 0.54377(3) 0.01844(13) Uani 1 1 d . . . . .
O1 O 0.59991(11) 0.68399(11) 0.50983(9) 0.0245(2) Uani 1 1 d . . . . .
O2 O 0.62263(10) 1.07324(10) 0.65334(8) 0.0200(2) Uani 1 1 d . . . . .
O3 O 0.82664(11) 0.65302(11) 0.44076(9) 0.0236(2) Uani 1 1 d . . . . .
O4 O 0.81805(12) 0.60866(11) 0.63066(9) 0.0250(3) Uani 1 1 d . . . . .
O5 O 0.55267(12) 1.15970(11) 0.84676(9) 0.0252(3) Uani 1 1 d . . . . .
N1 N 0.86729(16) 0.96053(15) 0.35665(12) 0.0314(3) Uani 1 1 d . . . . .
N2 N 0.62558(14) 1.14501(14) 0.49555(11) 0.0228(3) Uani 1 1 d D . . . .
H2A H 0.5571(17) 1.1936(19) 0.5120(16) 0.027 Uiso 1 1 d D U . . .
H2B H 0.647(2) 1.135(2) 0.4298(14) 0.027 Uiso 1 1 d D U . . .
C1 C 0.82621(15) 0.86839(14) 0.61421(12) 0.0190(3) Uani 1 1 d . . . . .
H1 H 0.929011 0.866277 0.625697 0.023 Uiso 1 1 calc R U . . .
C2 C 0.77624(15) 0.96591(14) 0.53778(12) 0.0189(3) Uani 1 1 d . . . . .
C3 C 0.67755(15) 1.05771(15) 0.55941(12) 0.0181(3) Uani 1 1 d . . . . .
C4 C 0.68976(15) 1.01569(15) 0.74126(12) 0.0187(3) Uani 1 1 d . . . . .
C5 C 0.78855(15) 0.91902(15) 0.72886(12) 0.0199(3) Uani 1 1 d . . . . .
C6 C 0.65255(15) 1.06625(15) 0.84615(13) 0.0210(3) Uani 1 1 d . . . . .
C7 C 0.71864(17) 1.01823(17) 0.93963(13) 0.0262(3) Uani 1 1 d . . . . .
H7 H 0.695296 1.051272 1.011442 0.031 Uiso 1 1 calc R U . . .
C8 C 0.81921(18) 0.92161(17) 0.92823(14) 0.0281(3) Uani 1 1 d . . . . .
H8 H 0.864553 0.889496 0.992638 0.034 Uiso 1 1 calc R U . . .
C9 C 0.85372(16) 0.87198(16) 0.82424(13) 0.0248(3) Uani 1 1 d . . . . .
H9 H 0.922040 0.805575 0.817485 0.030 Uiso 1 1 calc R U . . .
C10 C 0.82806(16) 0.96199(15) 0.43866(13) 0.0226(3) Uani 1 1 d . . . . .
C11 C 0.52091(19) 1.21798(18) 0.95559(13) 0.0304(4) Uani 1 1 d . . . . .
H11A H 0.602650 1.270773 1.007754 0.036 Uiso 1 1 calc R U . . .
H11B H 0.493435 1.143868 0.989853 0.036 Uiso 1 1 calc R U . . .
C12 C 0.4041(2) 1.3117(3) 0.93608(17) 0.0513(6) Uani 1 1 d . . . . .
H12A H 0.324373 1.258552 0.883461 0.077 Uiso 1 1 calc R U . . .
H12B H 0.433130 1.385502 0.903470 0.077 Uiso 1 1 calc R U . . .
H12C H 0.378592 1.352200 1.008587 0.077 Uiso 1 1 calc R U . . .
C13 C 0.74868(17) 0.61574(16) 0.32324(13) 0.0249(3) Uani 1 1 d . . . . .
H13A H 0.805074 0.640256 0.272183 0.030 Uiso 1 1 calc R U . . .
H13B H 0.663765 0.668182 0.315747 0.030 Uiso 1 1 calc R U . . .
C14 C 0.71076(16) 0.46361(16) 0.28911(12) 0.0221(3) Uani 1 1 d . . . . .
C15 C 0.81114(17) 0.36893(18) 0.26841(14) 0.0281(3) Uani 1 1 d . . . . .
H15 H 0.903025 0.400776 0.272777 0.034 Uiso 1 1 calc R U . . .
C16 C 0.77719(17) 0.22830(17) 0.24143(14) 0.0288(4) Uani 1 1 d . . . . .
H16 H 0.846302 0.164063 0.229033 0.035 Uiso 1 1 calc R U . . .
C17 C 0.64254(18) 0.18136(17) 0.23255(13) 0.0272(3) Uani 1 1 d . . . . .
H17 H 0.619398 0.085035 0.213355 0.033 Uiso 1 1 calc R U . . .
C18 C 0.54187(17) 0.27449(18) 0.25158(14) 0.0287(4) Uani 1 1 d . . . . .
H18 H 0.449419 0.242387 0.244689 0.034 Uiso 1 1 calc R U . . .
C19 C 0.57664(17) 0.41543(17) 0.28085(13) 0.0265(3) Uani 1 1 d . . . . .
H19 H 0.507825 0.479321 0.295334 0.032 Uiso 1 1 calc R U . . .
C20 C 0.78177(18) 0.46095(15) 0.60732(14) 0.0274(4) Uani 1 1 d . . . . .
H20A H 0.826693 0.410008 0.546934 0.033 Uiso 1 1 calc R U . . .
H20B H 0.680559 0.444072 0.581197 0.033 Uiso 1 1 calc R U . . .
C21 C 0.83027(16) 0.41254(15) 0.71514(13) 0.0232(3) Uani 1 1 d . . . . .
C22 C 0.91153(16) 0.29905(15) 0.71576(14) 0.0242(3) Uani 1 1 d . . . . .
H22 H 0.938722 0.253432 0.648011 0.029 Uiso 1 1 calc R U . . .
C23 C 0.95342(17) 0.25163(16) 0.81458(15) 0.0283(4) Uani 1 1 d . . . . .
H23 H 1.008676 0.173666 0.814022 0.034 Uiso 1 1 calc R U . . .
C24 C 0.91487(18) 0.31767(18) 0.91371(15) 0.0308(4) Uani 1 1 d . . . . .
H24 H 0.943368 0.285270 0.981304 0.037 Uiso 1 1 calc R U . . .
C25 C 0.83410(18) 0.43182(19) 0.91385(15) 0.0319(4) Uani 1 1 d . . . . .
H25 H 0.807391 0.477545 0.981785 0.038 Uiso 1 1 calc R U . . .
C26 C 0.79251(17) 0.47905(17) 0.81547(15) 0.0288(4) Uani 1 1 d . . . . .
H26 H 0.737791 0.557418 0.816347 0.035 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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
O1 P1 O4 115.51(6) . . ?
O1 P1 O3 113.66(6) . . ?
O4 P1 O3 104.71(6) . . ?
O1 P1 C1 115.80(6) . . ?
O4 P1 C1 102.02(6) . . ?
O3 P1 C1 103.59(6) . . ?
C3 O2 C4 117.80(11) . . ?
C13 O3 P1 121.47(10) . . ?
C20 O4 P1 120.02(9) . . ?
C6 O5 C11 116.03(12) . . ?
C3 N2 H2A 119.5(13) . . ?
C3 N2 H2B 117.3(13) . . ?
H2A N2 H2B 121.3(18) . . ?
C2 C1 C5 110.07(12) . . ?
C2 C1 P1 108.56(10) . . ?
C5 C1 P1 112.13(10) . . ?
C2 C1 H1 108.7 . . ?
C5 C1 H1 108.7 . . ?
P1 C1 H1 108.7 . . ?
C3 C2 C10 117.42(13) . . ?
C3 C2 C1 121.92(13) . . ?
C10 C2 C1 120.63(13) . . ?
N2 C3 O2 111.35(12) . . ?
N2 C3 C2 125.89(14) . . ?
O2 C3 C2 122.74(13) . . ?
C5 C4 O2 123.31(13) . . ?
C5 C4 C6 121.84(13) . . ?
O2 C4 C6 114.82(13) . . ?
C4 C5 C9 118.56(14) . . ?
C4 C5 C1 119.97(13) . . ?
C9 C5 C1 121.46(13) . . ?
O5 C6 C7 125.31(14) . . ?
O5 C6 C4 116.10(13) . . ?
C7 C6 C4 118.59(14) . . ?
C6 C7 C8 120.02(14) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 H7 120.0 . . ?
C9 C8 C7 120.67(14) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C8 C9 C5 120.31(14) . . ?
C8 C9 H9 119.8 . . ?
C5 C9 H9 119.8 . . ?
N1 C10 C2 178.18(16) . . ?
O5 C11 C12 107.24(13) . . ?
O5 C11 H11A 110.3 . . ?
C12 C11 H11A 110.3 . . ?
O5 C11 H11B 110.3 . . ?
C12 C11 H11B 110.3 . . ?
H11A C11 H11B 108.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O3 C13 C14 110.22(12) . . ?
O3 C13 H13A 109.6 . . ?
C14 C13 H13A 109.6 . . ?
O3 C13 H13B 109.6 . . ?
C14 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
C19 C14 C15 119.19(15) . . ?
C19 C14 C13 120.55(14) . . ?
C15 C14 C13 120.24(14) . . ?
C16 C15 C14 120.17(15) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C17 C16 C15 120.11(15) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C18 C17 C16 120.14(15) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 119.69(15) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C14 C19 C18 120.67(15) . . ?
C14 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
O4 C20 C21 108.07(12) . . ?
O4 C20 H20A 110.1 . . ?
C21 C20 H20A 110.1 . . ?
O4 C20 H20B 110.1 . . ?
C21 C20 H20B 110.1 . . ?
H20A C20 H20B 108.4 . . ?
C22 C21 C26 118.96(14) . . ?
C22 C21 C20 120.42(15) . . ?
C26 C21 C20 120.61(14) . . ?
C21 C22 C23 120.59(15) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C24 C23 C22 120.14(15) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C25 119.58(15) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C26 C25 C24 120.26(16) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C21 120.47(15) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
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
P1 O1 1.4733(11) . ?
P1 O4 1.5724(11) . ?
P1 O3 1.5807(11) . ?
P1 C1 1.8157(14) . ?
O2 C3 1.3577(18) . ?
O2 C4 1.3888(17) . ?
O3 C13 1.4625(18) . ?
O4 C20 1.4619(18) . ?
O5 C6 1.3594(18) . ?
O5 C11 1.4383(18) . ?
N1 C10 1.153(2) . ?
N2 C3 1.3338(19) . ?
N2 H2A 0.866(15) . ?
N2 H2B 0.865(15) . ?
C1 C2 1.5139(19) . ?
C1 C5 1.515(2) . ?
C1 H1 1.0000 . ?
C2 C3 1.366(2) . ?
C2 C10 1.413(2) . ?
C4 C5 1.381(2) . ?
C4 C6 1.405(2) . ?
C5 C9 1.398(2) . ?
C6 C7 1.387(2) . ?
C7 C8 1.392(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.381(2) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C11 C12 1.503(2) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.503(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C19 1.387(2) . ?
C14 C15 1.394(2) . ?
C15 C16 1.388(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.387(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.383(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.391(2) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.502(2) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.389(2) . ?
C21 C26 1.393(2) . ?
C22 C23 1.389(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.382(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.391(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(2) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
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
_geom_hbond_publ_flag
N2 H2A O1 0.866(15) 1.989(16) 2.8102(17) 157.7(18) 2_676 yes
C1 H1 N1 1.00 2.59 3.391(2) 136.7 2_776 yes
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
O1 P1 O3 C13 4.78(13) . . . . ?
O4 P1 O3 C13 131.73(11) . . . . ?
C1 P1 O3 C13 -121.71(11) . . . . ?
O1 P1 O4 C20 51.98(13) . . . . ?
O3 P1 O4 C20 -73.83(12) . . . . ?
C1 P1 O4 C20 178.46(12) . . . . ?
O1 P1 C1 C2 -56.04(12) . . . . ?
O4 P1 C1 C2 177.67(10) . . . . ?
O3 P1 C1 C2 69.10(11) . . . . ?
O1 P1 C1 C5 65.79(12) . . . . ?
O4 P1 C1 C5 -60.50(11) . . . . ?
O3 P1 C1 C5 -169.08(10) . . . . ?
C5 C1 C2 C3 -18.13(19) . . . . ?
P1 C1 C2 C3 104.95(14) . . . . ?
C5 C1 C2 C10 163.75(13) . . . . ?
P1 C1 C2 C10 -73.17(15) . . . . ?
C4 O2 C3 N2 -164.26(12) . . . . ?
C4 O2 C3 C2 14.00(19) . . . . ?
C10 C2 C3 N2 -0.3(2) . . . . ?
C1 C2 C3 N2 -178.49(14) . . . . ?
C10 C2 C3 O2 -178.31(13) . . . . ?
C1 C2 C3 O2 3.5(2) . . . . ?
C3 O2 C4 C5 -15.14(19) . . . . ?
C3 O2 C4 C6 163.11(12) . . . . ?
O2 C4 C5 C9 177.44(13) . . . . ?
C6 C4 C5 C9 -0.7(2) . . . . ?
O2 C4 C5 C1 -1.3(2) . . . . ?
C6 C4 C5 C1 -179.47(13) . . . . ?
C2 C1 C5 C4 16.74(18) . . . . ?
P1 C1 C5 C4 -104.22(13) . . . . ?
C2 C1 C5 C9 -162.01(13) . . . . ?
P1 C1 C5 C9 77.03(16) . . . . ?
C11 O5 C6 C7 3.9(2) . . . . ?
C11 O5 C6 C4 -176.17(14) . . . . ?
C5 C4 C6 O5 -179.15(13) . . . . ?
O2 C4 C6 O5 2.57(19) . . . . ?
C5 C4 C6 C7 0.8(2) . . . . ?
O2 C4 C6 C7 -177.52(13) . . . . ?
O5 C6 C7 C8 179.69(15) . . . . ?
C4 C6 C7 C8 -0.2(2) . . . . ?
C6 C7 C8 C9 -0.4(3) . . . . ?
C7 C8 C9 C5 0.5(3) . . . . ?
C4 C5 C9 C8 0.1(2) . . . . ?
C1 C5 C9 C8 178.84(14) . . . . ?
C6 O5 C11 C12 -177.07(16) . . . . ?
P1 O3 C13 C14 -89.52(14) . . . . ?
O3 C13 C14 C19 104.83(16) . . . . ?
O3 C13 C14 C15 -73.39(18) . . . . ?
C19 C14 C15 C16 -0.9(2) . . . . ?
C13 C14 C15 C16 177.36(14) . . . . ?
C14 C15 C16 C17 1.4(2) . . . . ?
C15 C16 C17 C18 -0.6(2) . . . . ?
C16 C17 C18 C19 -0.7(2) . . . . ?
C15 C14 C19 C18 -0.4(2) . . . . ?
C13 C14 C19 C18 -178.65(14) . . . . ?
C17 C18 C19 C14 1.2(2) . . . . ?
P1 O4 C20 C21 -165.83(10) . . . . ?
O4 C20 C21 C22 -128.16(15) . . . . ?
O4 C20 C21 C26 53.0(2) . . . . ?
C26 C21 C22 C23 0.6(2) . . . . ?
C20 C21 C22 C23 -178.22(14) . . . . ?
C21 C22 C23 C24 -0.3(2) . . . . ?
C22 C23 C24 C25 -0.1(3) . . . . ?
C23 C24 C25 C26 0.0(3) . . . . ?
C24 C25 C26 C21 0.4(3) . . . . ?
C22 C21 C26 C25 -0.7(2) . . . . ?
C20 C21 C26 C25 178.17(15) . . . . ?
