#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/05/7000592.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_7000592
loop_
_publ_author_name
'Garon, Christian N.'
'McIsaac, Daniel I.'
'Vogels, Christopher M.'
'Decken, Andreas'
'Williams, Ian D.'
'Kleeberg, Christian'
'Marder, Todd B.'
'Westcott, Stephen A.'
_publ_section_title
;
 Synthesis and structure of indenyl rhodium(I) complexes containing
 unsaturated phosphines: catalyst precursors for alkene hydroboration
;
_journal_issue                   9
_journal_name_full               'Dalton Transactions'
_journal_page_first              1624
_journal_page_last               1631
_journal_paper_doi               10.1039/b812259h
_journal_year                    2009
_chemical_formula_moiety         'C37 H33 P2 Rh'
_chemical_formula_sum            'C37 H33 P2 Rh'
_chemical_formula_weight         642.48
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 103.055(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.385(4)
_cell_length_b                   10.162(2)
_cell_length_c                   17.492(4)
_cell_measurement_reflns_used    5228
_cell_measurement_temperature    173(1)
_cell_measurement_theta_max      28.245
_cell_measurement_theta_min      2.333
_cell_volume                     3010.4(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'Bruker SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(1)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker AXS SMART1000/P4'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_av_sigmaI/netI    0.0715
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19545
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.20
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              K760
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.698
_exptl_absorpt_correction_T_max  0.9828
_exptl_absorpt_correction_T_min  0.7675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2004)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.025
_refine_diff_density_max         1.514
_refine_diff_density_min         -1.284
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         6710
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0915
_refine_ls_R_factor_gt           0.0477
_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)+(0.0447P)²+8.3225P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1055
_refine_ls_wR_factor_ref         0.1374
_reflns_number_gt                4557
_reflns_number_total             6710
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            b812259h.txt
_cod_data_source_block           sw071089
_cod_original_cell_volume        3010.4(12)
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7000592
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
Rh1 Rh 0.25582(2) 0.36084(3) 0.31514(2) 0.02079(12) Uani 1 1 d . . .
P1 P 0.23500(7) 0.57629(11) 0.32027(7) 0.0226(3) Uani 1 1 d . . .
P2 P 0.25336(7) 0.35371(10) 0.18779(7) 0.0208(2) Uani 1 1 d . . .
C1 C 0.2706(3) 0.3055(5) 0.4413(3) 0.0270(10) Uani 1 1 d . . .
H1 H 0.2762 0.3687 0.4860 0.032 Uiso 1 1 calc R . .
C2 C 0.3340(3) 0.2509(5) 0.4128(3) 0.0326(11) Uani 1 1 d . . .
H2 H 0.3914 0.2685 0.4344 0.039 Uiso 1 1 calc R . .
C3 C 0.3024(3) 0.1606(4) 0.3518(3) 0.0299(11) Uani 1 1 d . . .
H3 H 0.3340 0.1047 0.3232 0.036 Uiso 1 1 calc R . .
C3A C 0.2199(3) 0.1416(4) 0.3514(3) 0.0260(10) Uani 1 1 d . . .
C4 C 0.1618(3) 0.0583(5) 0.3080(3) 0.0346(12) Uani 1 1 d . . .
H4 H 0.1739 0.0005 0.2696 0.041 Uiso 1 1 calc R . .
C5 C 0.0874(3) 0.0617(5) 0.3217(3) 0.0380(13) Uani 1 1 d . . .
H5 H 0.0481 0.0042 0.2932 0.046 Uiso 1 1 calc R . .
C6 C 0.0678(3) 0.1478(5) 0.3767(3) 0.0378(12) Uani 1 1 d . . .
H6 H 0.0156 0.1476 0.3849 0.045 Uiso 1 1 calc R . .
C7 C 0.1231(3) 0.2332(5) 0.4193(3) 0.0331(11) Uani 1 1 d . . .
H7 H 0.1092 0.2921 0.4561 0.040 Uiso 1 1 calc R . .
C7A C 0.2001(3) 0.2316(4) 0.4073(3) 0.0273(10) Uani 1 1 d . . .
C8 C 0.1711(3) 0.6318(4) 0.3842(3) 0.0261(10) Uani 1 1 d . . .
C9 C 0.1025(3) 0.5609(5) 0.3825(3) 0.0351(12) Uani 1 1 d . . .
H9 H 0.0916 0.4846 0.3505 0.042 Uiso 1 1 calc R . .
C10 C 0.0497(3) 0.5999(6) 0.4271(3) 0.0431(14) Uani 1 1 d . . .
H10 H 0.0031 0.5501 0.4259 0.052 Uiso 1 1 calc R . .
C11 C 0.0653(4) 0.7124(6) 0.4734(3) 0.0449(14) Uani 1 1 d . . .
H11 H 0.0294 0.7395 0.5040 0.054 Uiso 1 1 calc R . .
C12 C 0.1323(4) 0.7839(5) 0.4749(3) 0.0415(13) Uani 1 1 d . . .
H12 H 0.1428 0.8606 0.5066 0.050 Uiso 1 1 calc R . .
C13 C 0.1854(3) 0.7446(5) 0.4301(3) 0.0353(12) Uani 1 1 d . . .
H13 H 0.2316 0.7953 0.4311 0.042 Uiso 1 1 calc R . .
C14 C 0.3273(3) 0.6667(4) 0.3573(3) 0.0237(10) Uani 1 1 d . . .
C15 C 0.3460(3) 0.7838(5) 0.3234(3) 0.0323(11) Uani 1 1 d . . .
H15 H 0.3076 0.8252 0.2834 0.039 Uiso 1 1 calc R . .
C16 C 0.4204(3) 0.8399(5) 0.3481(3) 0.0365(12) Uani 1 1 d . . .
H16 H 0.4329 0.9182 0.3239 0.044 Uiso 1 1 calc R . .
C17 C 0.4762(3) 0.7829(5) 0.4075(3) 0.0376(13) Uani 1 1 d . . .
H17 H 0.5269 0.8218 0.4243 0.045 Uiso 1 1 calc R . .
C18 C 0.4577(3) 0.6687(5) 0.4424(3) 0.0369(12) Uani 1 1 d . . .
H18 H 0.4958 0.6297 0.4838 0.044 Uiso 1 1 calc R . .
C19 C 0.3846(3) 0.6111(5) 0.4175(3) 0.0327(11) Uani 1 1 d . . .
H19 H 0.3730 0.5323 0.4419 0.039 Uiso 1 1 calc R . .
C20 C 0.1936(3) 0.6683(4) 0.2311(3) 0.0288(11) Uani 1 1 d . . .
H20 H 0.2212 0.6635 0.1901 0.035 Uiso 1 1 calc R . .
C21 C 0.1293(3) 0.7409(5) 0.2179(3) 0.0351(12) Uani 1 1 d . . .
H21A H 0.0997 0.7489 0.2571 0.042 Uiso 1 1 calc R . .
H21B H 0.1125 0.7853 0.1692 0.042 Uiso 1 1 calc R . .
C22 C 0.3223(3) 0.4580(4) 0.1495(3) 0.0243(10) Uani 1 1 d . . .
C23 C 0.3854(3) 0.5161(4) 0.2036(3) 0.0297(11) Uani 1 1 d . . .
H23 H 0.3912 0.5008 0.2582 0.036 Uiso 1 1 calc R . .
C24 C 0.4389(3) 0.5955(5) 0.1776(3) 0.0351(12) Uani 1 1 d . . .
H24 H 0.4808 0.6355 0.2147 0.042 Uiso 1 1 calc R . .
C25 C 0.4321(3) 0.6172(5) 0.0984(3) 0.0369(12) Uani 1 1 d . . .
H25 H 0.4690 0.6721 0.0811 0.044 Uiso 1 1 calc R . .
C26 C 0.3713(3) 0.5587(5) 0.0444(3) 0.0372(12) Uani 1 1 d . . .
H26 H 0.3668 0.5725 -0.0101 0.045 Uiso 1 1 calc R . .
C27 C 0.3168(3) 0.4798(5) 0.0696(3) 0.0311(11) Uani 1 1 d . . .
H27 H 0.2751 0.4402 0.0321 0.037 Uiso 1 1 calc R . .
C28 C 0.2780(3) 0.1902(4) 0.1543(3) 0.0243(10) Uani 1 1 d . . .
C29 C 0.3560(3) 0.1530(5) 0.1602(3) 0.0315(11) Uani 1 1 d . . .
H29 H 0.3972 0.2146 0.1785 0.038 Uiso 1 1 calc R . .
C30 C 0.3745(3) 0.0268(5) 0.1397(3) 0.0398(13) Uani 1 1 d . . .
H30 H 0.4281 0.0024 0.1443 0.048 Uiso 1 1 calc R . .
C31 C 0.3152(4) -0.0632(5) 0.1126(3) 0.0415(14) Uani 1 1 d . . .
H31 H 0.3280 -0.1493 0.0983 0.050 Uiso 1 1 calc R . .
C32 C 0.2377(4) -0.0282(5) 0.1064(3) 0.0387(13) Uani 1 1 d . . .
H32 H 0.1970 -0.0905 0.0879 0.046 Uiso 1 1 calc R . .
C33 C 0.2183(3) 0.0981(5) 0.1270(3) 0.0311(11) Uani 1 1 d . . .
H33 H 0.1645 0.1215 0.1224 0.037 Uiso 1 1 calc R . .
C34 C 0.1598(3) 0.3840(4) 0.1200(3) 0.0300(11) Uani 1 1 d . . .
H34 H 0.1584 0.3930 0.0656 0.036 Uiso 1 1 calc R . .
C35 C 0.0943(3) 0.3936(5) 0.1439(4) 0.0452(15) Uani 1 1 d . . .
H35A H 0.0949 0.3848 0.1981 0.054 Uiso 1 1 calc R . .
H35B H 0.0459 0.4096 0.1071 0.054 Uiso 1 1 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 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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
P2 Rh1 P1 96.10(4) . . ?
P2 Rh1 C2 128.54(14) . . ?
P1 Rh1 C2 122.64(13) . . ?
P2 Rh1 C3 100.51(13) . . ?
P1 Rh1 C3 159.78(13) . . ?
C2 Rh1 C3 37.14(18) . . ?
P2 Rh1 C1 162.65(13) . . ?
P1 Rh1 C1 101.03(13) . . ?
C2 Rh1 C1 37.14(19) . . ?
C3 Rh1 C1 62.15(18) . . ?
P2 Rh1 C3A 106.46(11) . . ?
P1 Rh1 C3A 146.74(12) . . ?
C2 Rh1 C3A 59.30(17) . . ?
C3 Rh1 C3A 35.72(17) . . ?
C1 Rh1 C3A 59.46(16) . . ?
P2 Rh1 C7A 136.39(12) . . ?
P1 Rh1 C7A 114.22(11) . . ?
C2 Rh1 C7A 59.24(18) . . ?
C3 Rh1 C7A 59.45(17) . . ?
C1 Rh1 C7A 35.65(16) . . ?
C3A Rh1 C7A 34.24(15) . . ?
C20 P1 C8 100.8(2) . . ?
C20 P1 C14 100.9(2) . . ?
C8 P1 C14 103.5(2) . . ?
C20 P1 Rh1 120.47(15) . . ?
C8 P1 Rh1 116.99(15) . . ?
C14 P1 Rh1 111.70(15) . . ?
C34 P2 C22 103.1(2) . . ?
C34 P2 C28 100.6(2) . . ?
C22 P2 C28 100.7(2) . . ?
C34 P2 Rh1 117.58(18) . . ?
C22 P2 Rh1 118.76(15) . . ?
C28 P2 Rh1 113.29(14) . . ?
C2 C1 C7A 107.8(4) . . ?
C2 C1 Rh1 71.2(3) . . ?
C7A C1 Rh1 80.0(3) . . ?
C2 C1 H1 125.4 . . ?
C7A C1 H1 125.4 . . ?
Rh1 C1 H1 125.4 . . ?
C3 C2 C1 108.4(4) . . ?
C3 C2 Rh1 71.5(3) . . ?
C1 C2 Rh1 71.7(3) . . ?
C3 C2 H2 125.7 . . ?
C1 C2 H2 125.7 . . ?
Rh1 C2 H2 125.7 . . ?
C2 C3 C3A 107.8(4) . . ?
C2 C3 Rh1 71.4(3) . . ?
C3A C3 Rh1 79.9(3) . . ?
C2 C3 H3 125.4 . . ?
C3A C3 H3 125.4 . . ?
Rh1 C3 H3 125.4 . . ?
C4 C3A C7A 119.8(5) . . ?
C4 C3A C3 132.6(5) . . ?
C7A C3A C3 107.6(4) . . ?
C4 C3A Rh1 127.3(3) . . ?
C7A C3A Rh1 73.2(2) . . ?
C3 C3A Rh1 64.4(2) . . ?
C5 C4 C3A 119.0(5) . . ?
C5 C4 H4 120.5 . . ?
C3A C4 H4 120.5 . . ?
C4 C5 C6 121.5(5) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C7 C6 C5 121.1(5) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C6 C7 C7A 118.9(5) . . ?
C6 C7 H7 120.5 . . ?
C7A C7 H7 120.5 . . ?
C7 C7A C3A 119.6(4) . . ?
C7 C7A C1 133.0(5) . . ?
C3A C7A C1 107.4(4) . . ?
C7 C7A Rh1 128.8(3) . . ?
C3A C7A Rh1 72.6(3) . . ?
C1 C7A Rh1 64.3(2) . . ?
C9 C8 C13 118.8(5) . . ?
C9 C8 P1 117.6(4) . . ?
C13 C8 P1 123.5(4) . . ?
C8 C9 C10 120.9(5) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C9 C10 C11 119.6(5) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C12 C11 C10 120.1(5) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 120.3(5) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C8 C13 C12 120.3(5) . . ?
C8 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C19 C14 C15 117.9(4) . . ?
C19 C14 P1 118.8(3) . . ?
C15 C14 P1 123.0(4) . . ?
C16 C15 C14 120.5(5) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C17 C16 C15 120.5(5) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C16 C17 C18 119.5(5) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
C19 C18 C17 120.5(5) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C14 121.1(5) . . ?
C18 C19 H19 119.4 . . ?
C14 C19 H19 119.4 . . ?
C21 C20 P1 126.4(4) . . ?
C21 C20 H20 116.8 . . ?
P1 C20 H20 116.8 . . ?
C20 C21 H21A 120.0 . . ?
C20 C21 H21B 120.0 . . ?
H21A C21 H21B 120.0 . . ?
C27 C22 C23 118.3(5) . . ?
C27 C22 P2 123.6(4) . . ?
C23 C22 P2 118.1(4) . . ?
C24 C23 C22 120.3(5) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C25 C24 C23 120.7(5) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C24 C25 C26 119.7(5) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C25 C26 C27 120.3(5) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C26 C27 C22 120.8(5) . . ?
C26 C27 H27 119.6 . . ?
C22 C27 H27 119.6 . . ?
C29 C28 C33 118.7(4) . . ?
C29 C28 P2 120.9(4) . . ?
C33 C28 P2 120.2(4) . . ?
C28 C29 C30 120.7(5) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
C31 C30 C29 120.2(5) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C32 C31 C30 119.9(5) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C31 C32 C33 120.6(5) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C32 C33 C28 120.0(5) . . ?
C32 C33 H33 120.0 . . ?
C28 C33 H33 120.0 . . ?
C35 C34 P2 121.6(4) . . ?
C35 C34 H34 119.2 . . ?
P2 C34 H34 119.2 . . ?
C34 C35 H35A 120.0 . . ?
C34 C35 H35B 120.0 . . ?
H35A C35 H35B 120.0 . . ?
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
Rh1 P2 2.2194(13) . ?
Rh1 P1 2.2243(13) . ?
Rh1 C2 2.228(5) . ?
Rh1 C3 2.230(4) . ?
Rh1 C1 2.235(4) . ?
Rh1 C3A 2.435(4) . ?
Rh1 C7A 2.443(5) . ?
P1 C20 1.822(5) . ?
P1 C8 1.834(5) . ?
P1 C14 1.834(5) . ?
P2 C34 1.810(5) . ?
P2 C22 1.837(5) . ?
P2 C28 1.844(5) . ?
C1 C2 1.421(7) . ?
C1 C7A 1.446(7) . ?
C1 H1 1.0000 . ?
C2 C3 1.420(7) . ?
C2 H2 1.0000 . ?
C3 C3A 1.444(7) . ?
C3 H3 1.0000 . ?
C3A C4 1.403(7) . ?
C3A C7A 1.436(6) . ?
C4 C5 1.368(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.398(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.383(7) . ?
C6 H6 0.9500 . ?
C7 C7A 1.400(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.388(7) . ?
C8 C13 1.390(7) . ?
C9 C10 1.391(8) . ?
C9 H9 0.9500 . ?
C10 C11 1.392(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.368(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.398(8) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C19 1.396(7) . ?
C14 C15 1.400(6) . ?
C15 C16 1.391(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.378(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.382(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.378(7) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.315(7) . ?
C20 H20 0.9500 . ?
C21 H21A 0.9500 . ?
C21 H21B 0.9500 . ?
C22 C27 1.396(7) . ?
C22 C23 1.406(6) . ?
C23 C24 1.383(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.382(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.386(7) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C29 1.389(7) . ?
C28 C33 1.400(7) . ?
C29 C30 1.389(7) . ?
C29 H29 0.9500 . ?
C30 C31 1.380(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.373(8) . ?
C31 H31 0.9500 . ?
C32 C33 1.395(7) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C35 1.303(8) . ?
C34 H34 0.9500 . ?
C35 H35A 0.9500 . ?
C35 H35B 0.9500 . ?
