#------------------------------------------------------------------------------
#$Date: 2018-09-04 16:17:29 +0200 (mar 04 de sep de 2018) $
#$Revision: 210415 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/38/7103803.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_7103803
loop_
_publ_author_name
'Ellis, Bobby D.'
'Carlesimo, Michelle'
'Macdonald, Charles L. B.'
_publ_section_title
;
 Stabilised phosphorus(I) and arsenic(I) iodide: readily-synthesised
 reagents for low oxidation state main group chemistry
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   15
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              1946
_journal_page_last               1947
_journal_paper_doi               10.1039/b302292g
_journal_year                    2003
_chemical_formula_moiety         '[C26 H24 P3][C24 H20 B]'
_chemical_formula_sum            'C50 H44 B P3'
_chemical_formula_weight         748.22
_chemical_melting_point          142-3
_chemical_name_common            'triphosphenium tetraphenylborate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.179(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9875(6)
_cell_length_b                   17.5408(6)
_cell_length_c                   20.9570(9)
_cell_measurement_reflns_used    8052
_cell_measurement_temperature    174(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.18
_cell_volume                     4050.9(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      174(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0667
_diffrn_reflns_av_sigmaI/netI    0.0754
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            29472
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.182
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.406
_refine_diff_density_min         -0.508
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.399
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         9065
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.399
_refine_ls_R_factor_all          0.1414
_refine_ls_R_factor_gt           0.1190
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+11.1148P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2134
_refine_ls_wR_factor_ref         0.2253
_reflns_number_gt                7146
_reflns_number_total             9065
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b302292g.txt
_cod_data_source_block           p21-p21c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7103803
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P11 P 0.19432(12) 0.29409(7) 0.30068(7) 0.0298(3) Uani 1 1 d . . .
P12 P 0.12385(13) 0.18841(8) 0.25038(7) 0.0352(3) Uani 1 1 d . . .
P13 P 0.12933(13) 0.23848(8) 0.15948(7) 0.0340(3) Uani 1 1 d . . .
C14 C 0.2659(5) 0.2962(3) 0.1889(3) 0.0374(12) Uani 1 1 d . . .
H14A H 0.336(3) 0.2641(13) 0.2030(6) 0.045 Uiso 1 1 calc R . .
H14B H 0.2660(5) 0.3285(13) 0.1520(14) 0.045 Uiso 1 1 calc R . .
C15 C 0.2683(5) 0.3444(3) 0.2500(3) 0.0378(12) Uani 1 1 d . . .
H15A H 0.2265(16) 0.3924(19) 0.2329(7) 0.045 Uiso 1 1 calc R . .
H15B H 0.352(3) 0.3559(6) 0.2801(12) 0.045 Uiso 1 1 calc R . .
C111 C 0.3046(4) 0.2767(3) 0.3875(3) 0.0306(10) Uani 1 1 d . . .
C112 C 0.3093(5) 0.3189(4) 0.4439(3) 0.0464(14) Uani 1 1 d . . .
H112 H 0.248(4) 0.363(3) 0.4372(5) 0.056 Uiso 1 1 calc R . .
C113 C 0.3955(6) 0.3034(4) 0.5093(3) 0.0600(19) Uani 1 1 d . . .
H113 H 0.3985(6) 0.334(2) 0.549(3) 0.072 Uiso 1 1 calc R . .
C114 C 0.4773(6) 0.2449(4) 0.5187(3) 0.0560(17) Uani 1 1 d . . .
H114 H 0.541(4) 0.2332(9) 0.568(3) 0.067 Uiso 1 1 calc R . .
C115 C 0.4743(6) 0.2023(4) 0.4630(3) 0.0592(19) Uani 1 1 d . . .
H115 H 0.531(4) 0.161(3) 0.4696(6) 0.071 Uiso 1 1 calc R . .
C116 C 0.3890(5) 0.2193(3) 0.3969(3) 0.0451(14) Uani 1 1 d . . .
H116 H 0.3886(5) 0.1934(18) 0.361(3) 0.054 Uiso 1 1 calc R . .
C121 C 0.0823(5) 0.3591(3) 0.3066(3) 0.0336(11) Uani 1 1 d . . .
C122 C -0.0335(5) 0.3329(4) 0.2954(3) 0.0414(13) Uani 1 1 d . . .
H122 H -0.0516(12) 0.280(3) 0.2875(6) 0.050 Uiso 1 1 calc R . .
C123 C -0.1223(6) 0.3826(4) 0.2955(3) 0.0542(17) Uani 1 1 d . . .
H123 H -0.195(6) 0.3650(14) 0.2892(6) 0.065 Uiso 1 1 calc R . .
C124 C -0.0980(6) 0.4592(4) 0.3054(3) 0.0542(17) Uani 1 1 d . . .
H124 H -0.156(5) 0.491(3) 0.3041(3) 0.065 Uiso 1 1 calc R . .
C125 C 0.0177(6) 0.4868(4) 0.3176(3) 0.0479(15) Uani 1 1 d . . .
H125 H 0.0355(13) 0.542(4) 0.3259(6) 0.058 Uiso 1 1 calc R . .
C126 C 0.1078(5) 0.4370(3) 0.3182(3) 0.0393(12) Uani 1 1 d . . .
H126 H 0.187(5) 0.4558(12) 0.3264(6) 0.047 Uiso 1 1 calc R . .
C131 C 0.1368(5) 0.1656(3) 0.1013(3) 0.0391(12) Uani 1 1 d . . .
C132 C 0.2340(6) 0.1145(4) 0.1232(3) 0.0491(15) Uani 1 1 d . . .
H132 H 0.303(4) 0.1205(5) 0.173(3) 0.059 Uiso 1 1 calc R . .
C133 C 0.2402(7) 0.0565(4) 0.0807(4) 0.0606(18) Uani 1 1 d . . .
H133 H 0.306(5) 0.022(3) 0.0965(13) 0.073 Uiso 1 1 calc R . .
C134 C 0.1506(7) 0.0490(4) 0.0149(4) 0.0590(19) Uani 1 1 d . . .
H134 H 0.1550(8) 0.007(3) -0.016(2) 0.071 Uiso 1 1 calc R . .
C135 C 0.0552(7) 0.0996(4) -0.0079(4) 0.0592(18) Uani 1 1 d . . .
H135 H -0.004(5) 0.0945(5) -0.052(3) 0.071 Uiso 1 1 calc R . .
C136 C 0.0475(6) 0.1577(4) 0.0343(3) 0.0472(14) Uani 1 1 d . . .
H136 H -0.020(4) 0.193(2) 0.0175(11) 0.057 Uiso 1 1 calc R . .
C141 C 0.0033(5) 0.2998(3) 0.1109(2) 0.0342(11) Uani 1 1 d . . .
C142 C -0.1030(5) 0.2961(4) 0.1229(3) 0.0462(14) Uani 1 1 d . . .
H142 H -0.1086(6) 0.264(2) 0.156(2) 0.055 Uiso 1 1 calc R . .
C143 C -0.1997(6) 0.3419(4) 0.0845(3) 0.0578(18) Uani 1 1 d . . .
H143 H -0.274(5) 0.3387(5) 0.0917(6) 0.069 Uiso 1 1 calc R . .
C144 C -0.1919(6) 0.3920(4) 0.0359(3) 0.0492(15) Uani 1 1 d . . .
H144 H -0.263(5) 0.426(2) 0.0086(18) 0.059 Uiso 1 1 calc R . .
C145 C -0.0859(6) 0.3961(3) 0.0246(3) 0.0456(14) Uani 1 1 d . . .
H145 H -0.0801(7) 0.433(2) -0.012(2) 0.055 Uiso 1 1 calc R . .
C146 C 0.0110(6) 0.3514(3) 0.0618(3) 0.0411(13) Uani 1 1 d . . .
H146 H 0.088(5) 0.3554(4) 0.0539(5) 0.049 Uiso 1 1 calc R . .
C151 C 0.8632(5) 0.1160(3) 0.3373(3) 0.0323(11) Uani 1 1 d . . .
C152 C 0.9371(5) 0.1726(3) 0.3799(3) 0.0386(12) Uani 1 1 d . . .
H152 H 0.896(2) 0.223(3) 0.3899(6) 0.046 Uiso 1 1 calc R . .
C153 C 1.0643(6) 0.1663(4) 0.4103(3) 0.0504(16) Uani 1 1 d . . .
H153 H 1.119(3) 0.213(3) 0.4431(19) 0.060 Uiso 1 1 calc R . .
C154 C 1.1222(6) 0.1025(4) 0.3999(3) 0.0559(18) Uani 1 1 d . . .
H154 H 1.210(6) 0.0979(6) 0.4209(15) 0.067 Uiso 1 1 calc R . .
C155 C 1.0513(6) 0.0458(4) 0.3588(3) 0.0538(17) Uani 1 1 d . . .
H155 H 1.089(3) 0.001(3) 0.3512(7) 0.065 Uiso 1 1 calc R . .
C156 C 0.9264(5) 0.0530(3) 0.3283(3) 0.0420(13) Uani 1 1 d . . .
H156 H 0.880(3) 0.011(3) 0.2986(19) 0.050 Uiso 1 1 calc R . .
C161 C 0.6799(5) 0.0922(3) 0.2170(3) 0.0338(11) Uani 1 1 d . . .
C162 C 0.7375(5) 0.1278(4) 0.1781(3) 0.0450(14) Uani 1 1 d . . .
H162 H 0.799(4) 0.170(3) 0.2005(14) 0.054 Uiso 1 1 calc R . .
C163 C 0.7127(6) 0.1075(4) 0.1095(3) 0.0539(17) Uani 1 1 d . . .
H163 H 0.749(3) 0.1313(19) 0.0860(18) 0.065 Uiso 1 1 calc R . .
C164 C 0.6304(6) 0.0496(4) 0.0783(3) 0.0528(16) Uani 1 1 d . . .
H164 H 0.6121(13) 0.0345(10) 0.029(3) 0.063 Uiso 1 1 calc R . .
C165 C 0.5743(5) 0.0130(4) 0.1153(3) 0.0479(15) Uani 1 1 d . . .
H165 H 0.516(4) -0.030(3) 0.0932(14) 0.058 Uiso 1 1 calc R . .
C166 C 0.5976(5) 0.0351(3) 0.1836(3) 0.0377(12) Uani 1 1 d . . .
H166 H 0.555(3) 0.0094(15) 0.2086(15) 0.045 Uiso 1 1 calc R . .
C171 C 0.6497(5) 0.0607(3) 0.3353(3) 0.0325(11) Uani 1 1 d . . .
C172 C 0.5262(6) 0.0713(3) 0.3232(3) 0.0448(14) Uani 1 1 d . . .
H172 H 0.477(3) 0.115(3) 0.289(2) 0.054 Uiso 1 1 calc R . .
C173 C 0.4672(7) 0.0254(4) 0.3545(4) 0.0559(18) Uani 1 1 d . . .
H173 H 0.387(6) 0.0342(8) 0.3455(8) 0.067 Uiso 1 1 calc R . .
C174 C 0.5277(7) -0.0330(4) 0.3990(3) 0.0540(17) Uani 1 1 d . . .
H174 H 0.480(3) -0.070(2) 0.4248(15) 0.065 Uiso 1 1 calc R . .
C175 C 0.6476(7) -0.0453(3) 0.4110(3) 0.0498(16) Uani 1 1 d . . .
H175 H 0.692(3) -0.087(3) 0.442(2) 0.060 Uiso 1 1 calc R . .
C176 C 0.7075(5) 0.0007(3) 0.3791(3) 0.0358(12) Uani 1 1 d . . .
H176 H 0.799(5) -0.0108(7) 0.3887(6) 0.043 Uiso 1 1 calc R . .
C181 C 0.6647(5) 0.2054(3) 0.3021(3) 0.0373(12) Uani 1 1 d . . .
C182 C 0.6790(6) 0.2365(3) 0.3670(4) 0.0537(16) Uani 1 1 d . . .
H182 H 0.720(2) 0.199(2) 0.416(3) 0.064 Uiso 1 1 calc R . .
C183 C 0.6454(7) 0.3101(4) 0.3748(5) 0.067(2) Uani 1 1 d . . .
H183 H 0.6600(13) 0.3308(15) 0.424(3) 0.080 Uiso 1 1 calc R . .
C184 C 0.5930(6) 0.3557(4) 0.3179(5) 0.070(3) Uani 1 1 d . . .
H184 H 0.5720(19) 0.404(4) 0.3231(7) 0.084 Uiso 1 1 calc R . .
C185 C 0.5719(5) 0.3280(4) 0.2529(5) 0.065(2) Uani 1 1 d . . .
H185 H 0.532(3) 0.360(2) 0.212(3) 0.077 Uiso 1 1 calc R . .
C186 C 0.6083(5) 0.2530(3) 0.2449(4) 0.0504(16) Uani 1 1 d . . .
H186 H 0.5929(11) 0.2333(13) 0.197(3) 0.061 Uiso 1 1 calc R . .
B1 B 0.7147(5) 0.1189(3) 0.2978(3) 0.0319(12) 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 0.0030 0.0020 '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'
B B 0.0010 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1020 0.0940 '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
C121 P11 C111 107.9(2) . . ?
C121 P11 C15 106.0(2) . . ?
C111 P11 C15 109.4(2) . . ?
C121 P11 P12 114.98(19) . . ?
C111 P11 P12 109.97(17) . . ?
C15 P11 P12 108.43(18) . . ?
P13 P12 P11 86.44(7) . . ?
C131 P13 C141 107.2(3) . . ?
C131 P13 C14 110.4(3) . . ?
C141 P13 C14 107.6(2) . . ?
C131 P13 P12 110.04(19) . . ?
C141 P13 P12 115.95(18) . . ?
C14 P13 P12 105.58(18) . . ?
C15 C14 P13 108.1(4) . . ?
C14 C15 P11 111.2(4) . . ?
C112 C111 C116 119.1(5) . . ?
C112 C111 P11 122.7(4) . . ?
C116 C111 P11 118.2(4) . . ?
C111 C112 C113 120.5(6) . . ?
C114 C113 C112 120.1(6) . . ?
C115 C114 C113 120.2(6) . . ?
C114 C115 C116 119.5(6) . . ?
C111 C116 C115 120.5(6) . . ?
C122 C121 C126 119.1(5) . . ?
C122 C121 P11 120.0(4) . . ?
C126 C121 P11 120.8(4) . . ?
C123 C122 C121 120.8(6) . . ?
C124 C123 C122 120.1(6) . . ?
C123 C124 C125 120.2(6) . . ?
C126 C125 C124 120.0(6) . . ?
C125 C126 C121 119.8(5) . . ?
C132 C131 C136 118.4(6) . . ?
C132 C131 P13 119.6(4) . . ?
C136 C131 P13 122.1(5) . . ?
C133 C132 C131 121.0(6) . . ?
C132 C133 C134 120.0(7) . . ?
C135 C134 C133 119.9(7) . . ?
C136 C135 C134 120.8(7) . . ?
C135 C136 C131 120.1(6) . . ?
C142 C141 C146 119.5(5) . . ?
C142 C141 P13 119.4(4) . . ?
C146 C141 P13 121.1(4) . . ?
C143 C142 C141 119.0(6) . . ?
C144 C143 C142 121.2(7) . . ?
C143 C144 C145 119.6(6) . . ?
C146 C145 C144 120.4(6) . . ?
C145 C146 C141 120.2(6) . . ?
C156 C151 C152 114.1(5) . . ?
C156 C151 B1 119.8(5) . . ?
C152 C151 B1 126.1(5) . . ?
C151 C152 C153 122.4(6) . . ?
C154 C153 C152 121.0(6) . . ?
C155 C154 C153 117.6(6) . . ?
C154 C155 C156 121.0(7) . . ?
C155 C156 C151 123.9(6) . . ?
C166 C161 C162 116.3(5) . . ?
C166 C161 B1 124.5(5) . . ?
C162 C161 B1 119.2(5) . . ?
C163 C162 C161 122.0(6) . . ?
C164 C163 C162 119.7(6) . . ?
C165 C164 C163 119.6(6) . . ?
C164 C165 C166 120.2(6) . . ?
C161 C166 C165 122.0(5) . . ?
C176 C171 C172 115.8(5) . . ?
C176 C171 B1 125.0(5) . . ?
C172 C171 B1 119.2(5) . . ?
C173 C172 C171 121.9(6) . . ?
C174 C173 C172 121.1(6) . . ?
C175 C174 C173 118.2(6) . . ?
C174 C175 C176 120.9(6) . . ?
C171 C176 C175 122.1(6) . . ?
C186 C181 C182 115.5(6) . . ?
C186 C181 B1 124.6(5) . . ?
C182 C181 B1 119.9(5) . . ?
C183 C182 C181 122.9(7) . . ?
C184 C183 C182 120.0(8) . . ?
C183 C184 C185 120.0(7) . . ?
C184 C185 C186 120.0(7) . . ?
C181 C186 C185 121.4(7) . . ?
C151 B1 C161 107.1(4) . . ?
C151 B1 C181 110.3(4) . . ?
C161 B1 C181 111.6(4) . . ?
C151 B1 C171 111.1(4) . . ?
C161 B1 C171 109.7(4) . . ?
C181 B1 C171 107.0(4) . . ?
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
P11 C121 1.802(5) . ?
P11 C111 1.804(5) . ?
P11 C15 1.852(5) . ?
P11 P12 2.1354(19) . ?
P12 P13 2.1221(19) . ?
P13 C131 1.792(6) . ?
P13 C141 1.807(6) . ?
P13 C14 1.814(5) . ?
C14 C15 1.526(7) . ?
C111 C112 1.377(7) . ?
C111 C116 1.384(7) . ?
C112 C113 1.380(8) . ?
C113 C114 1.378(9) . ?
C114 C115 1.375(8) . ?
C115 C116 1.392(8) . ?
C121 C122 1.391(7) . ?
C121 C126 1.401(7) . ?
C122 C123 1.376(8) . ?
C123 C124 1.375(9) . ?
C124 C125 1.394(9) . ?
C125 C126 1.385(7) . ?
C131 C132 1.397(8) . ?
C131 C136 1.399(8) . ?
C132 C133 1.373(9) . ?
C133 C134 1.381(10) . ?
C134 C135 1.377(10) . ?
C135 C136 1.376(8) . ?
C141 C142 1.394(8) . ?
C141 C146 1.401(7) . ?
C142 C143 1.379(8) . ?
C143 C144 1.375(9) . ?
C144 C145 1.384(9) . ?
C145 C146 1.363(8) . ?
C151 C156 1.394(7) . ?
C151 C152 1.395(7) . ?
C151 B1 1.642(8) . ?
C152 C153 1.407(8) . ?
C153 C154 1.380(9) . ?
C154 C155 1.369(9) . ?
C155 C156 1.383(8) . ?
C161 C166 1.387(7) . ?
C161 C162 1.405(7) . ?
C161 B1 1.645(8) . ?
C162 C163 1.395(8) . ?
C163 C164 1.387(9) . ?
C164 C165 1.369(8) . ?
C165 C166 1.402(7) . ?
C171 C176 1.389(7) . ?
C171 C172 1.412(8) . ?
C171 B1 1.659(8) . ?
C172 C173 1.394(8) . ?
C173 C174 1.383(9) . ?
C174 C175 1.374(9) . ?
C175 C176 1.413(8) . ?
C181 C186 1.396(8) . ?
C181 C182 1.412(8) . ?
C181 B1 1.646(7) . ?
C182 C183 1.382(8) . ?
C183 C184 1.365(11) . ?
C184 C185 1.374(11) . ?
C185 C186 1.417(9) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21156664
