#------------------------------------------------------------------------------
#$Date: 2020-07-06 05:06:13 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253827 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/65/7126514.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_7126514
loop_
_publ_author_name
'Fujii, Toshiki'
'Tanaka, Susumu'
'Hayashi, Shotaro'
'Imoto, Hiroaki'
'Naka, Kensuke'
_publ_section_title
;
 Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged
 bipyridines.
;
_journal_issue                   45
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6035
_journal_page_last               6038
_journal_paper_doi               10.1039/d0cc02389b
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C16 H11 N2 O P'
_chemical_formula_sum            'C16 H11 N2 O P'
_chemical_formula_weight         278.25
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2020-04-02 deposited with the CCDC.	2020-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                88.33(2)
_cell_angle_beta                 72.47(2)
_cell_angle_gamma                67.903(14)
_cell_formula_units_Z            2
_cell_length_a                   7.692(4)
_cell_length_b                   9.588(6)
_cell_length_c                   10.081(7)
_cell_measurement_reflns_used    1666
_cell_measurement_temperature    273
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      7.74
_cell_volume                     653.9(7)
_computing_cell_refinement       DTREK
_computing_data_collection       DTREK
_computing_data_reduction        DTREK
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      273
_diffrn_detector_area_resol_mean 13.653
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6758
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.525
_diffrn_reflns_theta_min         7.705
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.206
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             288.00
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2925
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0577P)²+0.1418P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                2415
_reflns_number_total             2925
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d0cc02389b2.cif
_cod_data_source_block           DPP-Ox_6
_cod_depositor_comments
'Adding full bibliography for 7126511--7126515.cif.'
_cod_database_code               7126514
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.46952(6) 0.86344(4) 0.71304(4) 0.03533(15) Uani 1 2 d . . .
O1 O 0.65358(17) 0.86523(15) 0.61198(13) 0.0500(3) Uani 1 2 d . . .
N1 N 0.5925(2) 0.63042(17) 1.04677(17) 0.0504(4) Uani 1 2 d . . .
N2 N 0.0441(2) 1.29822(16) 0.81225(18) 0.0506(4) Uani 1 2 d . . .
C1 C 0.4807(2) 0.79706(17) 0.88150(16) 0.0371(3) Uani 1 2 d . . .
C2 C 0.3432(2) 0.90728(17) 0.99047(17) 0.0356(3) Uani 1 2 d . . .
C3 C 0.2269(2) 1.04821(17) 0.94119(17) 0.0356(3) Uani 1 2 d . . .
C4 C 0.2789(2) 1.04410(17) 0.79489(17) 0.0352(3) Uani 1 2 d . . .
C5 C 0.3484(2) 0.76750(17) 0.64608(16) 0.0360(3) Uani 1 2 d . . .
C6 C 0.6024(3) 0.66118(19) 0.91507(19) 0.0459(4) Uani 1 2 d . . .
C7 C 0.4606(3) 0.7374(2) 1.1480(2) 0.0506(4) Uani 1 2 d . . .
C8 C 0.3333(3) 0.8769(2) 1.12735(18) 0.0444(4) Uani 1 2 d . . .
C9 C 0.1852(3) 1.17213(18) 0.73527(19) 0.0429(4) Uani 1 2 d . . .
C10 C -0.0044(3) 1.29833(19) 0.9516(2) 0.0518(5) Uani 1 2 d . . .
C11 C 0.0824(3) 1.17753(19) 1.02117(19) 0.0450(4) Uani 1 2 d . . .
C12 C 0.3395(3) 0.6311(2) 0.6902(2) 0.0507(4) Uani 1 2 d . . .
C13 C 0.2361(4) 0.5662(3) 0.6391(3) 0.0676(6) Uani 1 2 d . . .
C14 C 0.1425(4) 0.6357(3) 0.5449(3) 0.0688(6) Uani 1 2 d . . .
C15 C 0.1515(3) 0.7704(3) 0.4992(3) 0.0622(5) Uani 1 2 d . . .
C16 C 0.2550(3) 0.8355(2) 0.5483(2) 0.0493(4) Uani 1 2 d . . .
H6 H 0.69466 0.58861 0.8428 0.0551 Uiso 1 2 calc R . .
H7 H 0.45373 0.71658 1.23968 0.0607 Uiso 1 2 calc R . .
H8 H 0.2446 0.94753 1.2022 0.0533 Uiso 1 2 calc R . .
H9 H 0.22177 1.17017 0.63839 0.0515 Uiso 1 2 calc R . .
H10 H -0.10284 1.38514 1.00543 0.0622 Uiso 1 2 calc R . .
H11 H 0.04433 1.18362 1.11826 0.0541 Uiso 1 2 calc R . .
H12 H 0.40284 0.58327 0.75401 0.0608 Uiso 1 2 calc R . .
H13 H 0.23023 0.47492 0.66901 0.0811 Uiso 1 2 calc R . .
H14 H 0.07261 0.59172 0.51168 0.0825 Uiso 1 2 calc R . .
H15 H 0.08785 0.81727 0.43524 0.0746 Uiso 1 2 calc R . .
H16 H 0.26267 0.92554 0.51602 0.0591 Uiso 1 2 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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O1 P1 C1 117.54(9) yes . . .
O1 P1 C4 117.15(9) yes . . .
O1 P1 C5 114.85(9) yes . . .
C1 P1 C4 91.38(8) yes . . .
C1 P1 C5 107.43(9) yes . . .
C4 P1 C5 105.60(9) yes . . .
C6 N1 C7 117.19(16) yes . . .
C9 N2 C10 117.45(16) yes . . .
P1 C1 C2 110.94(12) yes . . .
P1 C1 C6 130.46(12) yes . . .
C2 C1 C6 118.59(16) yes . . .
C1 C2 C3 113.41(15) yes . . .
C1 C2 C8 118.97(14) yes . . .
C3 C2 C8 127.59(13) yes . . .
C2 C3 C4 113.17(12) yes . . .
C2 C3 C11 127.72(16) yes . . .
C4 C3 C11 119.10(15) yes . . .
P1 C4 C3 111.08(11) yes . . .
P1 C4 C9 130.18(13) yes . . .
C3 C4 C9 118.74(13) yes . . .
P1 C5 C12 122.80(16) yes . . .
P1 C5 C16 118.35(15) yes . . .
C12 C5 C16 118.8(2) yes . . .
N1 C6 C1 122.83(14) yes . . .
N1 C7 C8 125.14(19) yes . . .
C2 C8 C7 117.28(14) yes . . .
N2 C9 C4 122.54(17) yes . . .
N2 C10 C11 124.44(14) yes . . .
C3 C11 C10 117.71(17) yes . . .
C5 C12 C13 120.0(2) yes . . .
C12 C13 C14 120.5(2) yes . . .
C13 C14 C15 120.2(3) yes . . .
C14 C15 C16 119.9(2) yes . . .
C5 C16 C15 120.6(2) yes . . .
N1 C6 H6 118.584 no . . .
C1 C6 H6 118.584 no . . .
N1 C7 H7 117.428 no . . .
C8 C7 H7 117.430 no . . .
C2 C8 H8 121.366 no . . .
C7 C8 H8 121.359 no . . .
N2 C9 H9 118.731 no . . .
C4 C9 H9 118.729 no . . .
N2 C10 H10 117.774 no . . .
C11 C10 H10 117.785 no . . .
C3 C11 H11 121.141 no . . .
C10 C11 H11 121.146 no . . .
C5 C12 H12 120.013 no . . .
C13 C12 H12 119.997 no . . .
C12 C13 H13 119.774 no . . .
C14 C13 H13 119.773 no . . .
C13 C14 H14 119.895 no . . .
C15 C14 H14 119.898 no . . .
C14 C15 H15 120.028 no . . .
C16 C15 H15 120.038 no . . .
C5 C16 H16 119.713 no . . .
C15 C16 H16 119.717 no . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
P1 O1 1.4801(15) yes . .
P1 C1 1.811(2) yes . .
P1 C4 1.8096(16) yes . .
P1 C5 1.797(2) yes . .
N1 C6 1.337(3) yes . .
N1 C7 1.333(2) yes . .
N2 C9 1.342(2) yes . .
N2 C10 1.341(3) yes . .
C1 C2 1.403(2) yes . .
C1 C6 1.391(2) yes . .
C2 C3 1.481(2) yes . .
C2 C8 1.387(3) yes . .
C3 C4 1.405(3) yes . .
C3 C11 1.380(2) yes . .
C4 C9 1.393(2) yes . .
C5 C12 1.389(3) yes . .
C5 C16 1.397(3) yes . .
C7 C8 1.383(3) yes . .
C10 C11 1.390(3) yes . .
C12 C13 1.387(4) yes . .
C13 C14 1.371(4) yes . .
C14 C15 1.378(4) yes . .
C15 C16 1.377(4) yes . .
C6 H6 0.930 no . .
C7 H7 0.930 no . .
C8 H8 0.930 no . .
C9 H9 0.930 no . .
C10 H10 0.930 no . .
C11 H11 0.930 no . .
C12 H12 0.930 no . .
C13 H13 0.930 no . .
C14 H14 0.930 no . .
C15 H15 0.930 no . .
C16 H16 0.930 no . .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
O1 C6 3.581(3) no . .
O1 C9 3.567(2) no . .
O1 C16 3.428(3) no . .
N1 C2 2.790(3) no . .
N2 C3 2.792(3) no . .
C1 C7 2.701(3) no . .
C1 C12 3.190(3) no . .
C4 C10 2.710(2) no . .
C4 C16 3.325(3) no . .
C5 C14 2.776(4) no . .
C6 C8 2.741(3) no . .
C6 C12 3.543(4) no . .
C8 C11 3.171(3) no . .
C9 C11 2.746(3) no . .
C9 C16 3.564(4) no . .
C12 C15 2.767(4) no . .
C13 C16 2.755(4) no . .
O1 C9 3.323(3) no . 2_676
O1 C14 3.431(3) no . 1_655
O1 C15 3.407(3) no . 1_655
O1 C16 3.450(3) no . 2_676
N1 N1 3.576(3) no . 2_667
N1 C6 3.599(3) no . 2_667
N1 C10 3.410(3) no . 1_645
N1 C10 3.488(4) no . 2_677
N1 C11 3.532(3) no . 2_677
N2 C13 3.587(4) no . 1_565
C2 C2 3.541(3) no . 2_677
C3 C8 3.581(4) no . 2_677
C4 C7 3.558(4) no . 2_677
C6 N1 3.599(3) no . 2_667
C6 C11 3.536(4) no . 2_677
C7 C4 3.558(4) no . 2_677
C7 C15 3.566(4) no . 1_556
C8 C3 3.581(4) no . 2_677
C9 O1 3.323(3) no . 2_676
C10 N1 3.410(3) no . 1_465
C10 N1 3.488(4) no . 2_677
C11 N1 3.532(3) no . 2_677
C11 C6 3.536(4) no . 2_677
C11 C12 3.536(3) no . 2_577
C12 C11 3.536(3) no . 2_577
C13 N2 3.587(4) no . 1_545
C14 O1 3.431(3) no . 1_455
C15 O1 3.407(3) no . 1_455
C15 C7 3.566(4) no . 1_554
C16 O1 3.450(3) no . 2_676
P1 H6 3.0634 no . .
P1 H9 3.0604 no . .
P1 H12 2.9146 no . .
P1 H16 2.8200 no . .
O1 H6 3.4643 no . .
O1 H9 3.4435 no . .
O1 H16 3.2745 no . .
N1 H8 3.2389 no . .
N2 H11 3.2446 no . .
C1 H8 3.2549 no . .
C1 H12 2.7847 no . .
C2 H6 3.2382 no . .
C2 H7 3.1979 no . .
C2 H11 2.7924 no . .
C3 H8 2.8004 no . .
C3 H9 3.2429 no . .
C3 H10 3.2027 no . .
C4 H11 3.2506 no . .
C4 H16 3.1170 no . .
C5 H13 3.2411 no . .
C5 H15 3.2480 no . .
C6 H7 3.1125 no . .
C6 H12 2.8259 no . .
C7 H6 3.1188 no . .
C8 H11 2.9639 no . .
C9 H10 3.1275 no . .
C9 H16 3.0466 no . .
C10 H9 3.1330 no . .
C11 H8 2.9695 no . .
C12 H6 3.4136 no . .
C12 H14 3.2316 no . .
C12 H16 3.2380 no . .
C13 H15 3.2216 no . .
C14 H12 3.2300 no . .
C14 H16 3.2234 no . .
C15 H13 3.2211 no . .
C16 H9 3.2559 no . .
C16 H12 3.2410 no . .
C16 H14 3.2244 no . .
H6 H12 2.6723 no . .
H7 H8 2.2960 no . .
H8 H11 2.5027 no . .
H9 H16 2.5500 no . .
H10 H11 2.3045 no . .
H12 H13 2.3133 no . .
H13 H14 2.2962 no . .
H14 H15 2.3074 no . .
H15 H16 2.3039 no . .
P1 H9 3.5658 no . 2_676
O1 H8 3.0795 no . 2_677
O1 H9 2.3983 no . 2_676
O1 H14 3.1812 no . 1_655
O1 H15 3.1384 no . 1_655
O1 H16 2.5348 no . 2_676
N1 H6 3.5213 no . 2_667
N1 H10 2.5533 no . 1_645
N1 H12 2.8250 no . 2_667
N1 H13 3.4983 no . 2_667
N2 H6 2.9988 no . 1_465
N2 H13 2.7280 no . 1_565
N2 H15 3.3186 no . 2_576
C4 H7 3.5618 no . 2_677
C5 H11 3.1088 no . 2_577
C6 H10 3.0926 no . 1_645
C6 H11 3.4889 no . 2_677
C7 H12 3.0905 no . 2_667
C7 H13 3.4617 no . 2_667
C7 H15 3.2662 no . 1_556
C8 H15 3.2715 no . 1_556
C9 H7 3.4034 no . 2_677
C9 H13 3.0821 no . 1_565
C9 H15 3.0626 no . 2_576
C10 H6 3.2883 no . 1_465
C10 H10 3.5007 no . 2_587
C10 H12 3.4037 no . 2_577
C12 H7 3.2700 no . 2_667
C12 H10 3.0938 no . 2_577
C12 H11 2.9016 no . 2_577
C13 H7 3.3514 no . 2_667
C13 H10 3.4105 no . 2_577
C13 H11 3.1080 no . 2_577
C14 H7 3.5525 no . 1_554
C14 H11 3.4827 no . 2_577
C14 H14 3.3419 no . 2_566
C15 H7 2.8328 no . 1_554
C15 H8 3.4186 no . 1_554
C15 H9 3.4078 no . 2_576
C15 H16 3.4573 no . 2_576
C16 H7 3.0569 no . 1_554
C16 H11 3.5004 no . 2_577
C16 H15 3.3509 no . 2_576
H6 N1 3.5213 no . 2_667
H6 N2 2.9988 no . 1_645
H6 C10 3.2883 no . 1_645
H6 H10 2.8259 no . 1_645
H6 H11 3.5746 no . 2_677
H7 C4 3.5618 no . 2_677
H7 C9 3.4034 no . 2_677
H7 C12 3.2700 no . 2_667
H7 C13 3.3514 no . 2_667
H7 C14 3.5525 no . 1_556
H7 C15 2.8328 no . 1_556
H7 C16 3.0569 no . 1_556
H7 H9 3.5895 no . 2_677
H7 H12 2.6707 no . 2_667
H7 H13 2.8318 no . 2_667
H7 H15 2.7318 no . 1_556
H7 H16 3.0948 no . 1_556
H8 O1 3.0795 no . 2_677
H8 C15 3.4186 no . 1_556
H8 H15 2.7907 no . 1_556
H8 H16 3.2055 no . 1_556
H9 P1 3.5658 no . 2_676
H9 O1 2.3983 no . 2_676
H9 C15 3.4078 no . 2_576
H9 H7 3.5895 no . 2_677
H9 H13 2.9742 no . 1_565
H9 H14 3.2559 no . 2_576
H9 H15 2.6610 no . 2_576
H9 H16 3.5520 no . 2_676
H10 N1 2.5533 no . 1_465
H10 C6 3.0926 no . 1_465
H10 C10 3.5007 no . 2_587
H10 C12 3.0938 no . 2_577
H10 C13 3.4105 no . 2_577
H10 H6 2.8259 no . 1_465
H10 H10 3.1416 no . 2_587
H10 H12 2.7281 no . 2_577
H10 H13 3.2956 no . 2_577
H11 C5 3.1088 no . 2_577
H11 C6 3.4889 no . 2_677
H11 C12 2.9016 no . 2_577
H11 C13 3.1080 no . 2_577
H11 C14 3.4827 no . 2_577
H11 C16 3.5004 no . 2_577
H11 H6 3.5746 no . 2_677
H11 H12 3.1937 no . 2_577
H11 H13 3.5010 no . 2_577
H12 N1 2.8250 no . 2_667
H12 C7 3.0905 no . 2_667
H12 C10 3.4037 no . 2_577
H12 H7 2.6707 no . 2_667
H12 H10 2.7281 no . 2_577
H12 H11 3.1937 no . 2_577
H13 N1 3.4983 no . 2_667
H13 N2 2.7280 no . 1_545
H13 C7 3.4617 no . 2_667
H13 C9 3.0821 no . 1_545
H13 H7 2.8318 no . 2_667
H13 H9 2.9742 no . 1_545
H13 H10 3.2956 no . 2_577
H13 H11 3.5010 no . 2_577
H13 H14 3.5910 no . 2_566
H14 O1 3.1812 no . 1_455
H14 C14 3.3419 no . 2_566
H14 H9 3.2559 no . 2_576
H14 H13 3.5910 no . 2_566
H14 H14 2.4612 no . 2_566
H15 O1 3.1384 no . 1_455
H15 N2 3.3186 no . 2_576
H15 C7 3.2662 no . 1_554
H15 C8 3.2715 no . 1_554
H15 C9 3.0626 no . 2_576
H15 C16 3.3509 no . 2_576
H15 H7 2.7318 no . 1_554
H15 H8 2.7907 no . 1_554
H15 H9 2.6610 no . 2_576
H15 H15 3.3840 no . 2_576
H15 H16 2.8039 no . 2_576
H16 O1 2.5348 no . 2_676
H16 C15 3.4573 no . 2_576
H16 H7 3.0948 no . 1_554
H16 H8 3.2055 no . 1_554
H16 H9 3.5520 no . 2_676
H16 H15 2.8039 no . 2_576
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 P1 C1 C2 123.01(12) no . . . .
O1 P1 C1 C6 -55.6(2) no . . . .
O1 P1 C4 C3 -123.69(12) no . . . .
O1 P1 C4 C9 55.3(2) no . . . .
O1 P1 C5 C12 110.62(11) no . . . .
O1 P1 C5 C16 -71.15(11) no . . . .
C1 P1 C4 C3 -1.54(13) no . . . .
C1 P1 C4 C9 177.50(18) no . . . .
C4 P1 C1 C2 1.18(14) no . . . .
C4 P1 C1 C6 -177.47(18) no . . . .
C1 P1 C5 C12 -22.19(11) no . . . .
C1 P1 C5 C16 156.04(8) no . . . .
C5 P1 C1 C2 -105.65(13) no . . . .
C5 P1 C1 C6 75.70(19) no . . . .
C4 P1 C5 C12 -118.73(11) no . . . .
C4 P1 C5 C16 59.51(11) no . . . .
C5 P1 C4 C3 106.99(13) no . . . .
C5 P1 C4 C9 -73.97(18) no . . . .
C6 N1 C7 C8 0.3(4) no . . . .
C7 N1 C6 C1 -0.9(3) no . . . .
C9 N2 C10 C11 0.5(3) no . . . .
C10 N2 C9 C4 0.6(3) no . . . .
P1 C1 C2 C3 -0.5(2) no . . . .
P1 C1 C2 C8 -178.91(12) no . . . .
P1 C1 C6 N1 179.33(15) no . . . .
C2 C1 C6 N1 0.8(3) no . . . .
C6 C1 C2 C3 178.28(17) no . . . .
C6 C1 C2 C8 -0.1(3) no . . . .
C1 C2 C3 C4 -0.6(2) no . . . .
C1 C2 C3 C11 -179.37(17) no . . . .
C1 C2 C8 C7 -0.4(3) no . . . .
C3 C2 C8 C7 -178.54(18) no . . . .
C8 C2 C3 C4 177.56(19) no . . . .
C8 C2 C3 C11 -1.2(3) no . . . .
C2 C3 C4 P1 1.5(2) no . . . .
C2 C3 C4 C9 -177.65(16) no . . . .
C2 C3 C11 C10 178.45(18) no . . . .
C4 C3 C11 C10 -0.2(3) no . . . .
C11 C3 C4 P1 -179.64(16) no . . . .
C11 C3 C4 C9 1.2(3) no . . . .
P1 C4 C9 N2 179.60(14) no . . . .
C3 C4 C9 N2 -1.4(3) no . . . .
P1 C5 C12 C13 177.08(9) no . . . .
P1 C5 C16 C15 -176.66(9) no . . . .
C12 C5 C16 C15 1.6(2) no . . . .
C16 C5 C12 C13 -1.2(2) no . . . .
N1 C7 C8 C2 0.4(4) no . . . .
N2 C10 C11 C3 -0.7(3) no . . . .
C5 C12 C13 C14 0.1(3) no . . . .
C12 C13 C14 C15 0.5(3) no . . . .
C13 C14 C15 C16 0.0(3) no . . . .
C14 C15 C16 C5 -1.1(3) no . . . .
