#------------------------------------------------------------------------------
#$Date: 2016-08-07 10:58:02 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185117 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/28/1542894.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_1542894
loop_
_publ_author_name
'Ren, Yi'
'Sezen, Melda'
'Guo, Fang'
'Jäkle, Frieder'
'Loo, Yueh-Lin'
_publ_section_title
;
 [d]-Carbon--carbon double bond engineering in diazaphosphepines: a
 pathway to modulate the chemical and electronic structures of heteropines
;
_journal_issue                   7
_journal_name_full               'Chem. Sci.'
_journal_page_first              4211
_journal_paper_doi               10.1039/C6SC00519E
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C17 H10.5 N P0.5'
_chemical_formula_weight         244.25
_chemical_name_common            YR1
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2015-09-25 deposited with the CCDC.
2016-03-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.8239(8)
_cell_length_b                   19.3822(10)
_cell_length_c                   7.8312(4)
_cell_measurement_reflns_used    9897
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      33.7105
_cell_measurement_theta_min      2.5745
_cell_volume                     2401.8(2)
_computing_cell_refinement       'SAINT V8.30C (Bruker AXS Inc., 2013)'
_computing_data_collection       'Bruker Instrument Service v2012.12.0.3'
_computing_data_reduction        'SAINT V8.30C (Bruker AXS Inc., 2013)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'BRUKER APEX II CCD'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            52792
_diffrn_reflns_theta_full        36.37
_diffrn_reflns_theta_max         36.37
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    0.142
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.92
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            'translucent intense red-purple'
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular rhombic shard'
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.664
_refine_diff_density_min         -0.439
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.912
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         5933
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      0.944
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0495
_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)+(0.0598P)²+2.2881P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1197
_refine_ls_wR_factor_ref         0.1312
_reflns_number_gt                4817
_reflns_number_total             5933
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6sc00519e2.cif
_cod_data_source_block           I
_cod_depositor_comments
'Adding full bibliography for 1542894--1542898.cif.'
_cod_original_formula_sum        'C17 H10.50 N P0.50'
_cod_database_code               1542894
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'
'x-1/2, y, -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_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P P1 0.75166(2) 0.25 0.70796(5) 0.01177(8) Uani d . . S 1 . .
N N1 0.73097(5) 0.31828(5) 0.57524(12) 0.01551(15) Uani d . . . 1 . .
C C1 0.78364(6) 0.37605(5) 0.56738(14) 0.01674(17) Uani d . . D 1 . .
C C2 0.86182(7) 0.38680(5) 0.64444(16) 0.01930(19) Uani d . . D 1 . .
H H2 0.8875 0.3526 0.7141 0.023 Uiso calc . . R 1 . .
C C3 0.90061(8) 0.45005(6) 0.61446(19) 0.0259(2) Uani d . . D 1 . .
H H3 0.954 0.4594 0.6651 0.031 Uiso calc . . R 1 . .
C C4 0.86254(10) 0.50049(6) 0.5109(2) 0.0315(3) Uani d . . D 1 . .
H H4 0.8911 0.5429 0.4916 0.038 Uiso calc . . R 1 . .
C C5 0.78470(10) 0.48976(6) 0.43676(19) 0.0309(3) Uani d . . D 1 . .
H H5 0.7594 0.5243 0.3675 0.037 Uiso calc . . R 1 . .
C C6 0.74351(8) 0.42661(6) 0.46580(15) 0.0224(2) Uani d . . D 1 . .
C C7 0.66421(8) 0.39854(7) 0.41388(16) 0.0252(2) Uani d . . . 1 . .
H H7 0.6234 0.421 0.3442 0.03 Uiso calc . . R 1 . .
C C8 0.65696(6) 0.33344(6) 0.48201(14) 0.01941(19) Uani d . . . 1 . .
C C9 0.58711(6) 0.28568(7) 0.46689(13) 0.0222(2) Uani d . . . 1 . .
C C10A 0.50138(19) 0.31956(15) 0.4413(4) 0.0150(5) Uani d U P D 0.5 . 1
C C11A 0.46462(18) 0.38352(16) 0.4299(4) 0.0196(5) Uani d U P D 0.5 . 1
H H11A 0.497 0.4243 0.4451 0.024 Uiso calc . P R 0.5 . 1
C C12A 0.37616(17) 0.38676(17) 0.3945(4) 0.0233(5) Uani d U P D 0.5 . 1
H H12A 0.3503 0.4308 0.3853 0.028 Uiso calc . P R 0.5 . 1
C C13A 0.32692(17) 0.32946(17) 0.3733(4) 0.0225(5) Uani d U P D 0.5 . 1
H H13A 0.2685 0.3344 0.3483 0.027 Uiso calc . P R 0.5 . 1
C C10B 0.49675(19) 0.29989(15) 0.4390(4) 0.0145(5) Uani d U P D 0.5 . 2
C C11B 0.45529(18) 0.36234(16) 0.4242(4) 0.0201(5) Uani d U P D 0.5 . 2
H H11B 0.4847 0.4047 0.4384 0.024 Uiso calc . P R 0.5 . 2
C C12B 0.36632(18) 0.36140(17) 0.3866(4) 0.0245(5) Uani d U P D 0.5 . 2
H H12B 0.3374 0.4041 0.3742 0.029 Uiso calc . P R 0.5 . 2
C C13B 0.32206(16) 0.30181(17) 0.3681(4) 0.0223(4) Uani d U P D 0.5 . 2
H H13B 0.258(2) 0.2995(18) 0.336(5) 0.027 Uiso d . P . 0.5 A 2
C C14 0.36264(12) 0.2375(2) 0.3886(3) 0.0257(11) Uani d U P D 0.5 . .
C C15 0.44973(12) 0.2397(2) 0.4239(2) 0.0201(10) Uani d U P D 0.5 . .
C C16 0.65559(8) 0.25 0.83553(17) 0.0124(2) Uani d . . S 1 . .
C C17 0.62012(7) 0.18788(5) 0.88889(14) 0.01672(17) Uani d . . . 1 . .
H H17 0.646 0.1454 0.8584 0.02 Uiso calc . . R 1 . .
C C18 0.54674(7) 0.18805(6) 0.98683(15) 0.0208(2) Uani d . . . 1 . .
H H18 0.5225 0.1457 1.023 0.025 Uiso calc . . R 1 . .
C C19 0.50898(10) 0.25 1.03167(19) 0.0214(3) Uani d . . S 1 . .
H H19 0.4572 0.25 1.0931 0.026 Uiso calc . . SR 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'
P P 0.1023 0.0942 '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
N1 P1 N1 . 7_565 101.06(7)
N1 P1 C16 . . 99.99(4)
N1 P1 C16 7_565 . 99.99(4)
C1 N1 C8 . . 107.78(9)
C1 N1 P1 . . 122.10(7)
C8 N1 P1 . . 129.27(8)
C2 C1 N1 . . 129.12(9)
C2 C1 C6 . . 122.65(10)
N1 C1 C6 . . 108.22(10)
C3 C2 C1 . . 116.80(11)
C3 C2 H2 . . 121.6
C1 C2 H2 . . 121.6
C2 C3 C4 . . 121.41(13)
C2 C3 H3 . . 119.3
C4 C3 H3 . . 119.3
C5 C4 C3 . . 121.42(12)
C5 C4 H4 . . 119.3
C3 C4 H4 . . 119.3
C4 C5 C6 . . 118.56(12)
C4 C5 H5 . . 120.7
C6 C5 H5 . . 120.7
C5 C6 C1 . . 119.13(12)
C5 C6 C7 . . 133.94(12)
C1 C6 C7 . . 106.93(10)
C8 C7 C6 . . 108.22(10)
C8 C7 H7 . . 125.9
C6 C7 H7 . . 125.9
C7 C8 N1 . . 108.83(11)
C7 C8 C9 . . 128.26(10)
N1 C8 C9 . . 122.91(10)
C9 C9 C8 7_565 . 129.78(6)
C9 C9 C10B 7_565 . 100.79(13)
C8 C9 C10B . . 129.38(15)
C9 C9 C10A 7_565 . 115.59(12)
C8 C9 C10A . . 114.59(15)
C10B C9 C10A . . 14.81(12)
C11A C10A C15 . 7_565 118.8(3)
C11A C10A C9 . . 141.0(3)
C15 C10A C9 7_565 . 100.2(2)
C11A C10A C15 . . 126.4(3)
C15 C10A C15 7_565 . 7.61(17)
C9 C10A C15 . . 92.59(18)
C10A C11A C12A . . 117.9(3)
C10A C11A H11A . . 121.1
C12A C11A H11A . . 121.1
C13A C12A C11A . . 123.1(3)
C13A C12A H12A . . 118.4
C11A C12A H12A . . 118.4
C12A C13A C14 . 7_565 120.3(2)
C12A C13A C14 . . 126.4(2)
C14 C13A C14 7_565 . 6.04(11)
C12A C13A H13A . . 119.8
C14 C13A H13A 7_565 . 119.8
C14 C13A H13A . . 113.8
C12A C13A H13B . . 152.7(16)
C14 C13A H13B 7_565 . 86.8(16)
C14 C13A H13B . . 80.8(16)
H13A C13A H13B . . 33.1
C15 C10B C11B 7_565 . 106.7(3)
C15 C10B C15 7_565 . 11.6(3)
C11B C10B C15 . . 118.3(3)
C15 C10B C9 7_565 . 123.7(3)
C11B C10B C9 . . 129.6(2)
C15 C10B C9 . . 112.1(2)
C15 C10B C10B 7_565 7_565 44.4(2)
C11B C10B C10B . 7_565 151.17(17)
C15 C10B C10B . 7_565 32.88(16)
C9 C10B C10B . 7_565 79.22(12)
C10B C11B C12B . . 118.1(3)
C10B C11B C15 . 7_565 31.35(15)
C12B C11B C15 . 7_565 86.8(2)
C10B C11B H11B . . 121.0
C12B C11B H11B . . 121.0
C15 C11B H11B 7_565 . 152.2
C13B C12B C11B . . 122.5(3)
C13B C12B C14 . 7_565 30.17(14)
C11B C12B C14 . 7_565 92.3(2)
C13B C12B H12B . . 118.8
C11B C12B H12B . . 118.8
C14 C12B H12B 7_565 . 148.9
C14 C13B C12B 7_565 . 107.3(3)
C14 C13B C14 7_565 . 13.0(2)
C12B C13B C14 . . 120.3(2)
C14 C13B C13B 7_565 7_565 41.0(2)
C12B C13B C13B . 7_565 148.23(16)
C14 C13B C13B . 7_565 27.97(15)
C14 C13B H13B 7_565 . 129.(2)
C12B C13B H13B . . 124.1(19)
C14 C13B H13B . . 115.6(19)
C13B C13B H13B 7_565 . 87.6(19)
C14 C14 C13B 7_565 7_565 139.0(2)
C14 C14 C15 7_565 . 88.2(2)
C13B C14 C15 7_565 . 132.7(4)
C14 C14 C13B 7_565 . 27.98(15)
C13B C14 C13B 7_565 . 111.0(3)
C15 C14 C13B . . 116.2(3)
C14 C14 C13A 7_565 7_565 156.00(16)
C13B C14 C13A 7_565 7_565 17.0(2)
C15 C14 C13A . 7_565 115.8(3)
C13B C14 C13A . 7_565 128.0(2)
C14 C14 C15 7_565 7_565 72.6(2)
C13B C14 C15 7_565 7_565 148.3(4)
C15 C14 C15 . 7_565 15.6(3)
C13B C14 C15 . 7_565 100.5(3)
C13A C14 C15 7_565 7_565 131.4(3)
C14 C14 C13A 7_565 . 17.97(11)
C13B C14 C13A 7_565 . 121.1(3)
C15 C14 C13A . . 106.2(3)
C13B C14 C13A . . 10.04(15)
C13A C14 C13A 7_565 . 138.0(2)
C15 C14 C13A 7_565 . 90.5(3)
C14 C14 C12B 7_565 7_565 178.18(11)
C13B C14 C12B 7_565 7_565 42.6(2)
C15 C14 C12B . 7_565 90.2(3)
C13B C14 C12B . 7_565 153.6(2)
C13A C14 C12B 7_565 7_565 25.62(16)
C15 C14 C12B 7_565 7_565 105.8(2)
C13A C14 C12B . 7_565 163.62(18)
C15 C15 C10B 7_565 7_565 135.6(2)
C15 C15 C10B 7_565 . 32.87(16)
C10B C15 C10B 7_565 . 102.7(3)
C15 C15 C14 7_565 . 91.8(2)
C10B C15 C14 7_565 . 132.6(4)
C10B C15 C14 . . 124.6(3)
C15 C15 C10A 7_565 7_565 144.21(17)
C10B C15 C10A 7_565 7_565 8.7(2)
C10B C15 C10A . 7_565 111.34(18)
C14 C15 C10A . 7_565 124.0(3)
C15 C15 C14 7_565 7_565 72.6(2)
C10B C15 C14 7_565 7_565 151.8(4)
C10B C15 C14 . 7_565 105.4(3)
C14 C15 C14 . 7_565 19.2(3)
C10A C15 C14 7_565 7_565 143.2(3)
C15 C15 C10A 7_565 . 28.17(13)
C10B C15 C10A 7_565 . 107.4(2)
C10B C15 C10A . . 4.7(2)
C14 C15 C10A . . 119.9(3)
C10A C15 C10A 7_565 . 116.0(2)
C14 C15 C10A 7_565 . 100.7(3)
C15 C15 C11B 7_565 7_565 177.45(10)
C10B C15 C11B 7_565 7_565 41.9(2)
C10B C15 C11B . 7_565 144.6(2)
C14 C15 C11B . 7_565 90.7(3)
C10A C15 C11B 7_565 7_565 33.27(17)
C14 C15 C11B 7_565 7_565 109.9(2)
C10A C15 C11B . 7_565 149.30(18)
C17 C16 C17 . 7_565 119.67(13)
C17 C16 P1 . . 120.11(6)
C17 C16 P1 7_565 . 120.11(6)
C18 C17 C16 . . 119.98(10)
C18 C17 H17 . . 120.0
C16 C17 H17 . . 120.0
C19 C18 C17 . . 120.08(10)
C19 C18 H18 . . 120.0
C17 C18 H18 . . 120.0
C18 C19 C18 7_565 . 120.02(14)
C18 C19 H19 7_565 . 120.0
C18 C19 H19 . . 120.0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
P1 N1 . 1.7143(9)
P1 N1 7_565 1.7143(9)
P1 C16 . 1.8190(13)
N1 C1 . 1.3972(14)
N1 C8 . 1.4110(13)
C1 C2 . 1.3922(16)
C1 C6 . 1.4129(15)
C2 C3 . 1.3910(15)
C2 H2 . 0.95
C3 C4 . 1.406(2)
C3 H3 . 0.95
C4 C5 . 1.377(2)
C4 H4 . 0.95
C5 C6 . 1.4053(18)
C5 H5 . 0.95
C6 C7 . 1.4269(19)
C7 C8 . 1.3747(17)
C7 H7 . 0.95
C8 C9 . 1.4467(17)
C9 C9 7_565 1.383(3)
C9 C10B . 1.472(3)
C9 C10A . 1.520(3)
C10A C11A . 1.372(4)
C10A C15 7_565 1.417(5)
C10A C15 . 1.755(5)
C11A C12A . 1.428(4)
C11A H11A . 0.95
C12A C13A . 1.367(4)
C12A H12A . 0.95
C13A C14 7_565 1.421(5)
C13A C14 . 1.874(5)
C13A H13A . 0.95
C13A H13B . 1.27(3)
C10B C15 7_565 1.076(4)
C10B C11B . 1.382(4)
C10B C15 . 1.388(5)
C10B C10B 7_565 1.934(6)
C11B C12B . 1.438(4)
C11B C15 7_565 1.981(5)
C11B H11B . 0.95
C12B C13B . 1.359(4)
C12B C14 7_565 1.918(5)
C12B H12B . 0.95
C13B C14 7_565 1.009(4)
C13B C14 . 1.411(5)
C13B C13B 7_565 2.008(7)
C13B H13B . 1.05(3)
C14 C14 7_565 0.485(8)
C14 C13B 7_565 1.009(4)
C14 C15 . 1.406(3)
C14 C13A 7_565 1.421(5)
C14 C15 7_565 1.473(3)
C14 C12B 7_565 1.918(5)
C15 C15 7_565 0.397(9)
C15 C10B 7_565 1.076(4)
C15 C10A 7_565 1.417(5)
C15 C14 7_565 1.473(3)
C15 C11B 7_565 1.981(5)
C16 C17 . 1.3925(12)
C16 C17 7_565 1.3926(12)
C17 C18 . 1.3916(15)
C17 H17 . 0.95
C18 C19 . 1.3864(14)
C18 H18 . 0.95
C19 C18 7_565 1.3863(14)
C19 H19 . 0.95
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_site_symmetry_4
_geom_torsion
N1 P1 N1 C1 7_565 . -136.59(7)
C16 P1 N1 C1 . . 121.06(8)
N1 P1 N1 C8 7_565 . 55.27(11)
C16 P1 N1 C8 . . -47.08(10)
C8 N1 C1 C2 . . 177.40(11)
P1 N1 C1 C2 . . 7.02(16)
C8 N1 C1 C6 . . -1.44(12)
P1 N1 C1 C6 . . -171.83(8)
N1 C1 C2 C3 . . -179.91(11)
C6 C1 C2 C3 . . -1.21(16)
C1 C2 C3 C4 . . -0.15(18)
C2 C3 C4 C5 . . 0.9(2)
C3 C4 C5 C6 . . -0.4(2)
C4 C5 C6 C1 . . -0.95(18)
C4 C5 C6 C7 . . 178.86(13)
C2 C1 C6 C5 . . 1.80(17)
N1 C1 C6 C5 . . -179.26(10)
C2 C1 C6 C7 . . -178.06(10)
N1 C1 C6 C7 . . 0.87(12)
C5 C6 C7 C8 . . -179.79(13)
C1 C6 C7 C8 . . 0.04(13)
C6 C7 C8 N1 . . -0.93(13)
C6 C7 C8 C9 . . 178.78(11)
C1 N1 C8 C7 . . 1.48(12)
P1 N1 C8 C7 . . 170.95(8)
C1 N1 C8 C9 . . -178.25(10)
P1 N1 C8 C9 . . -8.78(16)
C7 C8 C9 C9 . 7_565 149.82(9)
N1 C8 C9 C9 . 7_565 -30.50(13)
C7 C8 C9 C10B . . -26.9(2)
N1 C8 C9 C10B . . 152.77(19)
C7 C8 C9 C10A . . -27.9(2)
N1 C8 C9 C10A . . 151.77(16)
C9 C9 C10A C11A 7_565 . -179.8(4)
C8 C9 C10A C11A . . -1.7(5)
C10B C9 C10A C11A . . -178.7(12)
C9 C9 C10A C15 7_565 7_565 -0.6(2)
C8 C9 C10A C15 . 7_565 177.42(14)
C10B C9 C10A C15 . 7_565 0.4(7)
C9 C9 C10A C15 7_565 . -0.51(18)
C8 C9 C10A C15 . . 177.56(11)
C10B C9 C10A C15 . . 0.6(8)
C15 C10A C11A C12A 7_565 . -2.3(4)
C9 C10A C11A C12A . . 176.7(3)
C15 C10A C11A C12A . . -2.3(5)
C10A C11A C12A C13A . . 0.6(5)
C11A C12A C13A C14 . 7_565 1.0(4)
C11A C12A C13A C14 . . 1.0(4)
C9 C9 C10B C15 7_565 7_565 -0.3(3)
C8 C9 C10B C15 . 7_565 177.1(2)
C10A C9 C10B C15 . 7_565 -179.3(11)
C9 C9 C10B C11B 7_565 . -179.1(3)
C8 C9 C10B C11B . . -1.7(4)
C10A C9 C10B C11B . . 1.9(6)
C9 C9 C10B C15 7_565 . -0.2(2)
C8 C9 C10B C15 . . 177.23(15)
C10A C9 C10B C15 . . -179.2(10)
C9 C9 C10B C10B 7_565 7_565 0
C8 C9 C10B C10B . 7_565 177.45(17)
C10A C9 C10B C10B . 7_565 -179.0(8)
C15 C10B C11B C12B 7_565 . -2.7(4)
C15 C10B C11B C12B . . -2.6(4)
C9 C10B C11B C12B . . 176.3(3)
C10B C10B C11B C12B 7_565 . -2.0(6)
C15 C10B C11B C15 . 7_565 0.11(4)
C9 C10B C11B C15 . 7_565 179.0(5)
C10B C10B C11B C15 7_565 7_565 0.7(2)
C10B C11B C12B C13B . . 1.1(5)
C15 C11B C12B C13B 7_565 . -0.4(3)
C10B C11B C12B C14 . 7_565 1.8(3)
C15 C11B C12B C14 7_565 7_565 0.37(15)
C11B C12B C13B C14 . 7_565 1.4(4)
C11B C12B C13B C14 . . 1.1(4)
C14 C12B C13B C14 7_565 . -0.35(4)
C11B C12B C13B C13B . 7_565 -0.2(5)
C14 C12B C13B C13B 7_565 7_565 -1.6(2)
C12B C13B C14 C14 . 7_565 1.46(19)
C13B C13B C14 C14 7_565 7_565 180.004(2)
C14 C13B C14 C13B 7_565 7_565 179.996(2)
C12B C13B C14 C13B . 7_565 -178.54(19)
C14 C13B C14 C15 7_565 . -3.0(4)
C12B C13B C14 C15 . . -1.6(4)
C13B C13B C14 C15 7_565 . 177.0(4)
C14 C13B C14 C13A 7_565 7_565 178.9(2)
C12B C13B C14 C13A . 7_565 -179.6(3)
C13B C13B C14 C13A 7_565 7_565 -1.1(2)
C14 C13B C14 C15 7_565 7_565 -2.6(3)
C12B C13B C14 C15 . 7_565 -1.2(3)
C13B C13B C14 C15 7_565 7_565 177.4(3)
C14 C13B C14 C13A 7_565 . 3.7(8)
C12B C13B C14 C13A . . 5.1(8)
C13B C13B C14 C13A 7_565 . -176.3(8)
C14 C13B C14 C12B 7_565 7_565 -178.0(3)
C12B C13B C14 C12B . 7_565 -176.5(4)
C13B C13B C14 C12B 7_565 7_565 2.0(3)
C12A C13A C14 C14 . 7_565 0.0(2)
C12A C13A C14 C13B . 7_565 -178.5(3)
C14 C13A C14 C13B 7_565 7_565 -178.4(3)
C12A C13A C14 C15 . . -0.7(3)
C14 C13A C14 C15 7_565 . -0.7(4)
C12A C13A C14 C13B . . -174.5(11)
C14 C13A C14 C13B 7_565 . -174.4(11)
C12A C13A C14 C13A . 7_565 180.0(2)
C14 C13A C14 C13A 7_565 7_565 179.994(2)
C12A C13A C14 C15 . 7_565 -0.7(3)
C14 C13A C14 C15 7_565 7_565 -0.6(4)
C12A C13A C14 C12B . 7_565 -177.1(5)
C14 C13A C14 C12B 7_565 7_565 -177.0(4)
C11B C10B C15 C15 . 7_565 -0.55(17)
C9 C10B C15 C15 . 7_565 -179.6(4)
C10B C10B C15 C15 7_565 7_565 -179.992(2)
C15 C10B C15 C10B 7_565 7_565 179.9920(10)
C11B C10B C15 C10B . 7_565 179.45(17)
C9 C10B C15 C10B . 7_565 0.4(4)
C15 C10B C15 C14 7_565 . 2.8(4)
C11B C10B C15 C14 . . 2.2(4)
C9 C10B C15 C14 . . -176.85(18)
C10B C10B C15 C14 7_565 . -177.2(4)
C15 C10B C15 C10A 7_565 7_565 -179.7(3)
C11B C10B C15 C10A . 7_565 179.7(3)
C9 C10B C15 C10A . 7_565 0.7(2)
C10B C10B C15 C10A 7_565 7_565 0.3(3)
C15 C10B C15 C14 7_565 7_565 2.2(3)
C11B C10B C15 C14 . 7_565 1.7(3)
C9 C10B C15 C14 . 7_565 -177.36(19)
C10B C10B C15 C14 7_565 7_565 -177.7(3)
C15 C10B C15 C10A 7_565 . -3.(2)
C11B C10B C15 C10A . . -3.(2)
C9 C10B C15 C10A . . 178.(3)
C10B C10B C15 C10A 7_565 . 177.(2)
C15 C10B C15 C11B 7_565 7_565 179.41(18)
C11B C10B C15 C11B . 7_565 178.9(3)
C9 C10B C15 C11B . 7_565 -0.2(5)
C10B C10B C15 C11B 7_565 7_565 -0.58(18)
C14 C14 C15 C15 7_565 7_565 0
C13B C14 C15 C15 7_565 7_565 177.6(3)
C13B C14 C15 C15 . 7_565 1.41(19)
C13A C14 C15 C15 7_565 7_565 179.71(18)
C13A C14 C15 C15 . 7_565 0.20(13)
C12B C14 C15 C15 7_565 7_565 179.18(11)
C14 C14 C15 C10B 7_565 7_565 -177.8(3)
C13B C14 C15 C10B 7_565 7_565 -0.2(5)
C13B C14 C15 C10B . 7_565 -176.4(3)
C13A C14 C15 C10B 7_565 7_565 1.9(4)
C15 C14 C15 C10B 7_565 7_565 -177.8(3)
C13A C14 C15 C10B . 7_565 -177.6(3)
C12B C14 C15 C10B 7_565 7_565 1.4(4)
C14 C14 C15 C10B 7_565 . -1.5(2)
C13B C14 C15 C10B 7_565 . 176.1(3)
C13B C14 C15 C10B . . -0.1(3)
C13A C14 C15 C10B 7_565 . 178.2(2)
C15 C14 C15 C10B 7_565 . -1.5(2)
C13A C14 C15 C10B . . -1.3(3)
C12B C14 C15 C10B 7_565 . 177.7(2)
C14 C14 C15 C10A 7_565 7_565 -178.7(2)
C13B C14 C15 C10A 7_565 7_565 -1.1(4)
C13B C14 C15 C10A . 7_565 -177.3(2)
C13A C14 C15 C10A 7_565 7_565 1.0(3)
C15 C14 C15 C10A 7_565 7_565 -178.7(2)
C13A C14 C15 C10A . 7_565 -178.5(2)
C12B C14 C15 C10A 7_565 7_565 0.5(3)
C13B C14 C15 C14 7_565 7_565 177.6(3)
C13B C14 C15 C14 . 7_565 1.42(19)
C13A C14 C15 C14 7_565 7_565 179.71(18)
C15 C14 C15 C14 7_565 7_565 0
C13A C14 C15 C14 . 7_565 0.21(13)
C12B C14 C15 C14 7_565 7_565 179.18(11)
C14 C14 C15 C10A 7_565 . -1.01(17)
C13B C14 C15 C10A 7_565 . 176.6(3)
C13B C14 C15 C10A . . 0.4(3)
C13A C14 C15 C10A 7_565 . 178.7(2)
C15 C14 C15 C10A 7_565 . -1.00(17)
C13A C14 C15 C10A . . -0.8(2)
C12B C14 C15 C10A 7_565 . 178.18(19)
C14 C14 C15 C11B 7_565 7_565 -179.56(11)
C13B C14 C15 C11B 7_565 7_565 -2.0(4)
C13B C14 C15 C11B . 7_565 -178.1(2)
C13A C14 C15 C11B 7_565 7_565 0.1(2)
C15 C14 C15 C11B 7_565 7_565 -179.56(11)
C13A C14 C15 C11B . 7_565 -179.35(16)
C12B C14 C15 C11B 7_565 7_565 -0.38(15)
C11A C10A C15 C15 . 7_565 0.41(18)
C9 C10A C15 C15 . 7_565 -179.0(3)
C11A C10A C15 C10B . 7_565 -179.9(4)
C15 C10A C15 C10B 7_565 7_565 179.7(3)
C9 C10A C15 C10B . 7_565 0.65(19)
C11A C10A C15 C10B . . 178.(3)
C15 C10A C15 C10B 7_565 . 177.(3)
C9 C10A C15 C10B . . -2.(3)
C11A C10A C15 C14 . . 2.5(4)
C15 C10A C15 C14 7_565 . 2.1(4)
C9 C10A C15 C14 . . -176.90(17)
C11A C10A C15 C10A . 7_565 -179.60(18)
C15 C10A C15 C10A 7_565 7_565 179.993(2)
C9 C10A C15 C10A . 7_565 1.0(3)
C11A C10A C15 C14 . 7_565 2.2(3)
C15 C10A C15 C14 7_565 7_565 1.8(3)
C9 C10A C15 C14 . 7_565 -177.23(16)
C11A C10A C15 C11B . 7_565 179.7(2)
C15 C10A C15 C11B 7_565 7_565 179.3(2)
C9 C10A C15 C11B . 7_565 0.3(4)
N1 P1 C16 C17 . . 143.56(10)
N1 P1 C16 C17 7_565 . 40.33(11)
N1 P1 C16 C17 . 7_565 -40.33(11)
N1 P1 C16 C17 7_565 7_565 -143.56(10)
C17 C16 C17 C18 7_565 . 3.7(2)
P1 C16 C17 C18 . . 179.84(9)
C16 C17 C18 C19 . . -0.14(18)
C17 C18 C19 C18 . 7_565 -3.5(2)
