#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/38/7013886.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_7013886
loop_
_publ_author_name
'Nishihara, Yasushi'
'Nara, Kyoko'
'Nishide, Yasuhiro'
'Osakada, Kohtaro'
_publ_section_title
;
 Cationic Rh complexes with novel spiro tetraarylpentaborate anions
 prepared from arylboronic acids and aryloxorhodium complexes.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1366
_journal_page_last               1375
_journal_paper_doi               10.1039/b315902g
_journal_year                    2004
_chemical_formula_moiety         'C33 H34 O P Rh '
_chemical_formula_sum            'C33 H34 O P Rh'
_chemical_formula_weight         580.51
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.79(1)
_cell_angle_beta                 90.22(2)
_cell_angle_gamma                79.76(2)
_cell_formula_units_Z            2
_cell_length_a                   11.918(3)
_cell_length_b                   12.525(2)
_cell_length_c                   9.851(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      10.8
_cell_measurement_theta_min      9.4
_cell_volume                     1383.6(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.10'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_measured_fraction_theta_full 0.9992
_diffrn_measured_fraction_theta_max 0.9992
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6662
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        -2.56
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.697
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             600.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.47
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     359
_refine_ls_number_reflns         5306
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo² + 1.3000σ²(Fo) + 0.0000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0430
_reflns_number_gt                5306
_reflns_number_total             6369
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            b315902g.txt
_cod_data_source_block           form3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'psi-scans' was replaced
with 'psi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C33 H34 O P Rh '
_cod_database_code               7013886
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.23518(2) 0.20480(2) 0.08546(2) 0.03739(5) Uani 1.00 1 d . . .
P1 P 0.21744(6) 0.21193(5) 0.32347(6) 0.0368(1) Uani 1.00 1 d . . .
O1 O 0.2338(2) 0.3734(2) 0.1685(2) 0.0625(6) Uani 1.00 1 d . . .
C1 C 0.2972(3) 0.0292(2) 0.0086(3) 0.0525(8) Uani 1.00 1 d . . .
C2 C 0.1788(3) 0.0499(3) 0.0148(3) 0.0550(8) Uani 1.00 1 d . . .
C3 C 0.1040(4) 0.0458(4) -0.1108(4) 0.084(1) Uani 1.00 1 d . . .
C4 C 0.1372(4) 0.1108(4) -0.2064(4) 0.084(1) Uani 1.00 1 d . . .
C5 C 0.1936(3) 0.2095(3) -0.1303(3) 0.0579(9) Uani 1.00 1 d . . .
C6 C 0.3080(3) 0.2014(3) -0.1186(3) 0.0577(9) Uani 1.00 1 d . . .
C7 C 0.3966(4) 0.0936(4) -0.1728(4) 0.083(1) Uani 1.00 1 d . . .
C8 C 0.3704(4) -0.0060(3) -0.1286(4) 0.078(1) Uani 1.00 1 d . . .
C9 C 0.2430(3) 0.4527(2) 0.1080(3) 0.0484(7) Uani 1.00 1 d . . .
C10 C 0.3443(3) 0.4917(3) 0.1081(4) 0.065(1) Uani 1.00 1 d . . .
C11 C 0.3519(4) 0.5831(3) 0.0571(5) 0.081(1) Uani 1.00 1 d . . .
C12 C 0.2598(4) 0.6372(3) 0.0032(4) 0.074(1) Uani 1.00 1 d . . .
C13 C 0.1601(4) 0.5976(3) -0.0004(4) 0.074(1) Uani 1.00 1 d . . .
C14 C 0.1520(3) 0.5066(3) 0.0504(4) 0.066(1) Uani 1.00 1 d . . .
C15 C 0.2709(6) 0.7390(4) -0.0471(6) 0.140(3) Uani 1.00 1 d . . .
C16 C 0.2327(2) 0.0782(2) 0.3687(2) 0.0386(6) Uani 1.00 1 d . . .
C17 C 0.3398(2) 0.0231(2) 0.3931(3) 0.0489(7) Uani 1.00 1 d . . .
C18 C 0.3532(3) -0.0820(3) 0.4165(4) 0.0578(9) Uani 1.00 1 d . . .
C19 C 0.2603(3) -0.1330(3) 0.4173(4) 0.0611(9) Uani 1.00 1 d . . .
C20 C 0.1538(3) -0.0799(3) 0.3929(4) 0.0588(9) Uani 1.00 1 d . . .
C21 C 0.1401(2) 0.0244(2) 0.3682(3) 0.0490(7) Uani 1.00 1 d . . .
C22 C 0.0776(2) 0.2889(2) 0.4047(3) 0.0431(6) Uani 1.00 1 d . . .
C23 C 0.0070(3) 0.3498(3) 0.3302(3) 0.0541(8) Uani 1.00 1 d . . .
C24 C -0.0997(3) 0.4090(3) 0.3891(4) 0.070(1) Uani 1.00 1 d . . .
C25 C -0.1365(3) 0.4087(3) 0.5205(4) 0.072(1) Uani 1.00 1 d . . .
C26 C -0.0678(3) 0.3485(3) 0.5943(4) 0.070(1) Uani 1.00 1 d . . .
C27 C 0.0392(3) 0.2889(3) 0.5381(3) 0.0565(8) Uani 1.00 1 d . . .
C28 C 0.3264(2) 0.2810(2) 0.4274(3) 0.0425(6) Uani 1.00 1 d . . .
C29 C 0.4248(3) 0.2833(3) 0.3552(3) 0.0540(8) Uani 1.00 1 d . . .
C30 C 0.5123(3) 0.3303(3) 0.4297(4) 0.068(1) Uani 1.00 1 d . . .
C31 C 0.5013(4) 0.3764(3) 0.5725(4) 0.074(1) Uani 1.00 1 d . . .
C32 C 0.4032(4) 0.3756(3) 0.6462(4) 0.074(1) Uani 1.00 1 d . . .
C33 C 0.3162(3) 0.3268(3) 0.5731(3) 0.0609(9) Uani 1.00 1 d . . .
H1 H 0.3300(3) -0.0030(2) 0.0792(3) 0.062(1) Uiso 1.00 1 c . . .
H2 H 0.1463(3) 0.0289(3) 0.0890(3) 0.070(1) Uiso 1.00 1 c . . .
H3 H 0.1085(4) -0.0313(4) -0.1647(4) 0.112(2) Uiso 1.00 1 c . . .
H4 H 0.0275(4) 0.0776(4) -0.0757(4) 0.112(2) Uiso 1.00 1 c . . .
H5 H 0.1901(4) 0.0601(4) -0.2782(4) 0.110(2) Uiso 1.00 1 c . . .
H6 H 0.0710(4) 0.1384(4) -0.2489(4) 0.110(2) Uiso 1.00 1 c . . .
H7 H 0.1544(3) 0.2812(3) -0.1354(3) 0.074(1) Uiso 1.00 1 c . . .
H8 H 0.3351(3) 0.2686(3) -0.1172(3) 0.072(1) Uiso 1.00 1 c . . .
H9 H 0.4008(4) 0.0731(4) -0.2736(4) 0.096(2) Uiso 1.00 1 c . . .
H10 H 0.4684(4) 0.1085(4) -0.1380(4) 0.096(2) Uiso 1.00 1 c . . .
H11 H 0.4404(4) -0.0513(3) -0.1164(4) 0.088(2) Uiso 1.00 1 c . . .
H12 H 0.3309(4) -0.0496(3) -0.2018(4) 0.088(2) Uiso 1.00 1 c . . .
H13 H 0.4095(3) 0.4552(3) 0.1439(4) 0.079(1) Uiso 1.00 1 c . . .
H14 H 0.4224(4) 0.6090(3) 0.0600(5) 0.102(2) Uiso 1.00 1 c . . .
H15 H 0.0954(4) 0.6333(3) -0.0379(4) 0.093(2) Uiso 1.00 1 c . . .
H16 H 0.0820(3) 0.4796(3) 0.0451(4) 0.084(2) Uiso 1.00 1 c . . .
H17 H 0.2900(6) 0.7978(4) 0.0297(6) 0.179(3) Uiso 1.00 1 c . . .
H18 H 0.3287(6) 0.7174(4) -0.1211(6) 0.179(3) Uiso 1.00 1 c . . .
H19 H 0.2000(6) 0.7653(4) -0.0816(6) 0.179(3) Uiso 1.00 1 c . . .
H20 H 0.4041(2) 0.0585(2) 0.3943(3) 0.061(1) Uiso 1.00 1 c . . .
H21 H 0.4267(3) -0.1192(3) 0.4320(4) 0.071(1) Uiso 1.00 1 c . . .
H22 H 0.2697(3) -0.2049(3) 0.4340(4) 0.077(1) Uiso 1.00 1 c . . .
H23 H 0.0897(3) -0.1152(3) 0.3936(4) 0.075(1) Uiso 1.00 1 c . . .
H24 H 0.0667(2) 0.0602(2) 0.3503(3) 0.061(1) Uiso 1.00 1 c . . .
H25 H 0.0321(3) 0.3510(3) 0.2393(3) 0.065(1) Uiso 1.00 1 c . . .
H26 H -0.1479(3) 0.4501(3) 0.3371(4) 0.083(1) Uiso 1.00 1 c . . .
H27 H -0.2095(3) 0.4501(3) 0.5597(4) 0.083(2) Uiso 1.00 1 c . . .
H28 H -0.0935(3) 0.3475(3) 0.6850(4) 0.082(1) Uiso 1.00 1 c . . .
H29 H 0.0868(3) 0.2472(3) 0.5899(3) 0.068(1) Uiso 1.00 1 c . . .
H30 H 0.4321(3) 0.2528(3) 0.2548(3) 0.067(1) Uiso 1.00 1 c . . .
H31 H 0.5807(3) 0.3299(3) 0.3800(4) 0.086(2) Uiso 1.00 1 c . . .
H32 H 0.5607(4) 0.4097(3) 0.6226(4) 0.091(2) Uiso 1.00 1 c . . .
H33 H 0.3954(4) 0.4081(3) 0.7463(4) 0.087(2) Uiso 1.00 1 c . . .
H34 H 0.2491(3) 0.3252(3) 0.6237(3) 0.073(1) Uiso 1.00 1 c . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Rh Rh -1.118 0.919
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 . Rh1 . O1 . 82.96(6) yes
P1 . Rh1 . C1 . 96.22(8) no
O1 . Rh1 . C1 . 160.12(12) no
P1 . Rh1 . C2 . 93.10(8) no
O1 . Rh1 . C2 . 161.05(12) no
C1 . Rh1 . C2 . 38.60(12) no
P1 . Rh1 . C5 . 162.07(9) no
O1 . Rh1 . C5 . 96.5(1) no
C1 . Rh1 . C5 . 90.25(12) no
C2 . Rh1 . C5 . 81.56(11) no
P1 . Rh1 . C6 . 161.53(9) no
O1 . Rh1 . C6 . 92.45(11) no
C1 . Rh1 . C6 . 82.06(12) no
C2 . Rh1 . C6 . 96.73(12) no
C5 . Rh1 . C6 . 36.12(12) no
Rh1 . P1 . C16 . 118.62(8) no
Rh1 . P1 . C22 . 111.98(9) no
C16 . P1 . C22 . 103.25(12) no
Rh1 . P1 . C28 . 111.54(9) no
C16 . P1 . C28 . 102.63(11) no
C22 . P1 . C28 . 107.86(12) no
Rh1 . O1 . C9 . 131.62(17) no
Rh1 . C1 . C2 . 70.32(17) no
Rh1 . C1 . C8 . 113.8(2) no
C2 . C1 . C8 . 123.9(3) no
Rh1 . C1 . H1 . 113.6 no
C2 . C1 . H1 . 114.0 no
C8 . C1 . H1 . 113.8 no
Rh1 . C2 . C1 . 71.07(16) no
Rh1 . C2 . C3 . 111.5(2) no
C1 . C2 . C3 . 125.7(3) no
Rh1 . C2 . H2 . 113.2 no
C1 . C2 . H2 . 113.5 no
C3 . C2 . H2 . 113.8 no
C2 . C3 . C4 . 113.6(3) no
C2 . C3 . H3 . 108.5 no
C4 . C3 . H3 . 108.8 no
C2 . C3 . H4 . 108.4 no
C4 . C3 . H4 . 108.0 no
H3 . C3 . H4 . 109.5 no
C3 . C4 . C5 . 113.6(3) no
C3 . C4 . H5 . 108.0 no
C5 . C4 . H5 . 107.7 no
C3 . C4 . H6 . 109.0 no
C5 . C4 . H6 . 109.1 no
H5 . C4 . H6 . 109.5 no
Rh1 . C5 . C4 . 111.14(19) no
Rh1 . C5 . C6 . 71.26(16) no
C4 . C5 . C6 . 123.7(3) no
Rh1 . C5 . H7 . 114.2 no
C4 . C5 . H7 . 114.1 no
C6 . C5 . H7 . 114.7 no
Rh1 . C6 . C5 . 72.62(16) no
Rh1 . C6 . C7 . 108.5(2) no
C5 . C6 . C7 . 125.7(3) no
Rh1 . C6 . H8 . 113.8 no
C5 . C6 . H8 . 114.1 no
C7 . C6 . H8 . 114.0 no
C6 . C7 . C8 . 114.1(3) no
C6 . C7 . H9 . 108.1 no
C8 . C7 . H9 . 108.2 no
C6 . C7 . H10 . 108.7 no
C8 . C7 . H10 . 108.2 no
H9 . C7 . H10 . 109.5 no
C1 . C8 . C7 . 113.3(3) no
C1 . C8 . H11 . 108.6 no
C7 . C8 . H11 . 108.6 no
C1 . C8 . H12 . 108.3 no
C7 . C8 . H12 . 108.5 no
H11 . C8 . H12 . 109.5 no
O1 . C9 . C10 . 120.7(3) no
O1 . C9 . C14 . 122.9(3) no
C10 . C9 . C14 . 116.3(3) no
C9 . C10 . C11 . 121.2(3) no
C9 . C10 . H13 . 118.9 no
C11 . C10 . H13 . 119.9 no
C10 . C11 . C12 . 121.6(3) no
C10 . C11 . H14 . 119.4 no
C12 . C11 . H14 . 119.0 no
C11 . C12 . C13 . 117.7(3) no
C11 . C12 . C15 . 119.9(4) no
C13 . C12 . C15 . 122.4(4) no
C12 . C13 . C14 . 121.0(3) no
C12 . C13 . H15 . 119.2 no
C14 . C13 . H15 . 119.9 no
C9 . C14 . C13 . 122.2(3) no
C9 . C14 . H16 . 118.3 no
C13 . C14 . H16 . 119.4 no
C12 . C15 . H17 . 109.9 no
C12 . C15 . H18 . 109.7 no
H17 . C15 . H18 . 109.5 no
C12 . C15 . H19 . 108.8 no
H17 . C15 . H19 . 109.5 no
H18 . C15 . H19 . 109.5 no
P1 . C16 . C17 . 120.5(2) no
P1 . C16 . C21 . 121.14(19) no
C17 . C16 . C21 . 118.2(2) no
C16 . C17 . C18 . 120.7(3) no
C16 . C17 . H20 . 119.5 no
C18 . C17 . H20 . 119.8 no
C17 . C18 . C19 . 120.1(3) no
C17 . C18 . H21 . 120.0 no
C19 . C18 . H21 . 119.9 no
C18 . C19 . C20 . 120.0(3) no
C18 . C19 . H22 . 119.9 no
C20 . C19 . H22 . 120.1 no
C19 . C20 . C21 . 120.2(3) no
C19 . C20 . H23 . 119.8 no
C21 . C20 . H23 . 120.0 no
C16 . C21 . C20 . 120.8(3) no
C16 . C21 . H24 . 119.3 no
C20 . C21 . H24 . 119.9 no
P1 . C22 . C23 . 118.5(2) no
P1 . C22 . C27 . 122.8(2) no
C23 . C22 . C27 . 118.7(3) no
C22 . C23 . C24 . 119.8(3) no
C22 . C23 . H25 . 119.7 no
C24 . C23 . H25 . 120.5 no
C23 . C24 . C25 . 121.0(3) no
C23 . C24 . H26 . 119.3 no
C25 . C24 . H26 . 119.6 no
C24 . C25 . C26 . 119.6(3) no
C24 . C25 . H27 . 120.1 no
C26 . C25 . H27 . 120.3 no
C25 . C26 . C27 . 120.5(3) no
C25 . C26 . H28 . 119.8 no
C27 . C26 . H28 . 119.7 no
C22 . C27 . C26 . 120.4(3) no
C22 . C27 . H29 . 119.4 no
C26 . C27 . H29 . 120.2 no
P1 . C28 . C29 . 117.6(2) no
P1 . C28 . C33 . 123.2(2) no
C29 . C28 . C33 . 119.1(3) no
C28 . C29 . C30 . 120.0(3) no
C28 . C29 . H30 . 119.6 no
C30 . C29 . H30 . 120.4 no
C29 . C30 . C31 . 120.7(4) no
C29 . C30 . H31 . 119.7 no
C31 . C30 . H31 . 119.6 no
C30 . C31 . C32 . 120.1(3) no
C30 . C31 . H32 . 120.4 no
C32 . C31 . H32 . 119.5 no
C31 . C32 . C33 . 119.7(3) no
C31 . C32 . H33 . 120.1 no
C33 . C32 . H33 . 120.2 no
C28 . C33 . C32 . 120.4(3) no
C28 . C33 . H34 . 119.7 no
C32 . C33 . H34 . 119.8 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Rh1 . P1 . 2.3295(8) yes
Rh1 . O1 . 2.029(2) yes
Rh1 . C1 . 2.102(3) yes
Rh1 . C2 . 2.093(3) yes
Rh1 . C5 . 2.196(3) yes
Rh1 . C6 . 2.179(3) yes
P1 . C16 . 1.833(2) no
P1 . C22 . 1.827(3) no
P1 . C28 . 1.833(3) no
O1 . C9 . 1.317(3) yes
C1 . C2 . 1.387(4) yes
C1 . C8 . 1.520(4) no
C1 . H1 . 0.950 no
C2 . C3 . 1.517(4) no
C2 . H2 . 0.950 no
C3 . C4 . 1.505(5) no
C3 . H3 . 0.95 no
C3 . H4 . 0.95 no
C4 . C5 . 1.517(5) no
C4 . H5 . 0.95 no
C4 . H6 . 0.95 no
C5 . C6 . 1.356(5) yes
C5 . H7 . 0.95 no
C6 . C7 . 1.517(5) no
C6 . H8 . 0.95 no
C7 . C8 . 1.516(5) no
C7 . H9 . 0.95 no
C7 . H10 . 0.95 no
C8 . H11 . 0.95 no
C8 . H12 . 0.95 no
C9 . C10 . 1.380(4) no
C9 . C14 . 1.383(4) no
C10 . C11 . 1.393(5) no
C10 . H13 . 0.95 no
C11 . C12 . 1.373(6) no
C11 . H14 . 0.95 no
C12 . C13 . 1.363(6) no
C12 . C15 . 1.521(5) no
C13 . C14 . 1.388(5) no
C13 . H15 . 0.95 no
C14 . H16 . 0.95 no
C15 . H17 . 0.95 no
C15 . H18 . 0.95 no
C15 . H19 . 0.95 no
C16 . C17 . 1.394(4) no
C16 . C21 . 1.391(4) no
C17 . C18 . 1.383(4) no
C17 . H20 . 0.95 no
C18 . C19 . 1.372(4) no
C18 . H21 . 0.95 no
C19 . C20 . 1.379(4) no
C19 . H22 . 0.95 no
C20 . C21 . 1.378(4) no
C20 . H23 . 0.95 no
C21 . H24 . 0.95 no
C22 . C23 . 1.386(4) no
C22 . C27 . 1.393(4) no
C23 . C24 . 1.387(4) no
C23 . H25 . 0.95 no
C24 . C25 . 1.370(5) no
C24 . H26 . 0.95 no
C25 . C26 . 1.364(5) no
C25 . H27 . 0.95 no
C26 . C27 . 1.385(5) no
C26 . H28 . 0.95 no
C27 . H29 . 0.95 no
C28 . C29 . 1.383(4) no
C28 . C33 . 1.380(4) no
C29 . C30 . 1.392(4) no
C29 . H30 . 0.95 no
C30 . C31 . 1.354(5) no
C30 . H31 . 0.95 no
C31 . C32 . 1.382(6) no
C31 . H32 . 0.95 no
C32 . C33 . 1.390(5) no
C32 . H33 . 0.95 no
C33 . H34 . 0.95 no
