#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:13:50 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179682 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/04/7000413.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_7000413
loop_
_publ_author_name
'Chang, Yung-Hung'
'Fu, Ching-Feng'
'Liu, Yi-Hong'
'Peng, Shei-Ming'
'Chen, Jwu-Ting'
'Liu, Shiuh-Tzung'
_publ_section_title
;
 Synthesis, characterization and catalytic activity of saturated and
 unsaturated N-heterocyclic carbene iridium(i) complexes
;
_journal_issue                   5
_journal_name_full               'Dalton Transactions'
_journal_page_first              861
_journal_page_last               867
_journal_paper_doi               10.1039/b814234c
_journal_year                    2009
_chemical_formula_sum            'C36 H33 Cl Ir N2 O P'
_chemical_formula_weight         768.26
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 117.3970(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2700(3)
_cell_length_b                   32.3955(7)
_cell_length_c                   10.8716(3)
_cell_measurement_reflns_used    38153
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     3211.32(15)
_computing_cell_refinement       'HKL Denzo & Scalepack (Otwinowski & Minor)'
_computing_data_collection       'COLLECT (Nonius BV)'
_computing_data_reduction        'HKL Denzo & Scalepack (Otwinowski & Minor)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            22873
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    4.322
_exptl_absorpt_correction_T_max  0.534
_exptl_absorpt_correction_T_min  0.422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.224
_refine_diff_density_min         -1.189
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       0.0020(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         7295
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0277
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0382P)²+1.3845P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0728
_reflns_number_gt                6205
_reflns_number_total             7295
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b814234c.txt
_cod_data_source_block           ic12848
_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_cell_volume        3211.31(15)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7000413
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Ir1 Ir 0.789953(12) 0.116979(3) 0.822146(12) 0.04285(7) Uani 1 1 d . . .
Cl1 Cl 0.74462(11) 0.07323(3) 0.97273(11) 0.0671(2) Uani 1 1 d . . .
P1 P 0.63324(8) 0.16639(2) 0.83525(8) 0.04176(17) Uani 1 1 d . . .
O1 O 0.8526(4) 0.16755(12) 0.6316(5) 0.1161(15) Uani 1 1 d . . .
N1 N 1.0817(3) 0.07402(8) 0.9002(3) 0.0546(7) Uani 1 1 d . . .
N2 N 0.9002(3) 0.03476(8) 0.7714(3) 0.0563(7) Uani 1 1 d . . .
C1 C 0.8280(4) 0.14860(12) 0.7055(5) 0.0673(10) Uani 1 1 d . . .
C2 C 0.9361(3) 0.07200(9) 0.8284(3) 0.0466(7) Uani 1 1 d . . .
C3 C 1.0288(4) 0.00901(12) 0.8002(5) 0.0720(11) Uani 1 1 d . . .
H3A H 1.0382 0.0040 0.7167 0.086 Uiso 1 1 calc R . .
H3B H 1.0235 -0.0172 0.8406 0.086 Uiso 1 1 calc R . .
C4 C 1.1536(4) 0.03489(11) 0.9018(4) 0.0617(9) Uani 1 1 d . . .
H4A H 1.1977 0.0226 0.9935 0.074 Uiso 1 1 calc R . .
H4B H 1.2285 0.0386 0.8720 0.074 Uiso 1 1 calc R . .
C5 C 1.1670(4) 0.11031(10) 0.9696(4) 0.0565(9) Uani 1 1 d . . .
H5A H 1.1015 0.1338 0.9464 0.068 Uiso 1 1 calc R . .
H5B H 1.2364 0.1158 0.9342 0.068 Uiso 1 1 calc R . .
C6 C 1.2499(4) 0.10674(10) 1.1247(4) 0.0526(8) Uani 1 1 d . . .
C7 C 1.3980(5) 0.11461(12) 1.1933(5) 0.0695(11) Uani 1 1 d . . .
H7A H 1.4480 0.1204 1.1426 0.083 Uiso 1 1 calc R . .
C8 C 1.4744(6) 0.11409(14) 1.3373(5) 0.0853(15) Uani 1 1 d . . .
H8A H 1.5742 0.1200 1.3826 0.102 Uiso 1 1 calc R . .
C9 C 1.4004(7) 0.10474(15) 1.4117(5) 0.0912(16) Uani 1 1 d . . .
H9A H 1.4506 0.1042 1.5080 0.109 Uiso 1 1 calc R . .
C10 C 1.2535(7) 0.09628(15) 1.3453(5) 0.0896(14) Uani 1 1 d . . .
H10A H 1.2045 0.0899 1.3966 0.108 Uiso 1 1 calc R . .
C11 C 1.1771(5) 0.09722(13) 1.2013(4) 0.0707(10) Uani 1 1 d . . .
H11A H 1.0772 0.0915 1.1565 0.085 Uiso 1 1 calc R . .
C12 C 0.7543(4) 0.02272(12) 0.6687(4) 0.0585(8) Uani 1 1 d . . .
H12A H 0.6832 0.0406 0.6775 0.070 Uiso 1 1 calc R . .
H12B H 0.7356 -0.0053 0.6880 0.070 Uiso 1 1 calc R . .
C13 C 0.7316(4) 0.02479(10) 0.5216(4) 0.0533(8) Uani 1 1 d . . .
C14 C 0.6257(4) -0.00031(11) 0.4199(4) 0.0579(8) Uani 1 1 d . . .
H14A H 0.5776 -0.0202 0.4458 0.069 Uiso 1 1 calc R . .
C15 C 0.5914(5) 0.00394(13) 0.2818(4) 0.0687(10) Uani 1 1 d . . .
H15A H 0.5186 -0.0125 0.2156 0.082 Uiso 1 1 calc R . .
C16 C 0.6636(5) 0.03209(14) 0.2418(5) 0.0753(12) Uani 1 1 d . . .
H16A H 0.6406 0.0348 0.1489 0.090 Uiso 1 1 calc R . .
C17 C 0.7712(5) 0.05657(15) 0.3411(5) 0.0825(13) Uani 1 1 d . . .
H17A H 0.8215 0.0757 0.3149 0.099 Uiso 1 1 calc R . .
C18 C 0.8041(5) 0.05271(13) 0.4794(5) 0.0723(11) Uani 1 1 d . . .
H18A H 0.8767 0.0693 0.5451 0.087 Uiso 1 1 calc R . .
C19 C 0.6742(4) 0.18065(10) 1.0120(4) 0.0521(8) Uani 1 1 d . . .
C20 C 0.8160(5) 0.17575(14) 1.1162(4) 0.0743(11) Uani 1 1 d . . .
H20A H 0.8872 0.1649 1.0952 0.089 Uiso 1 1 calc R . .
C21 C 0.8533(6) 0.18672(16) 1.2512(5) 0.0955(15) Uani 1 1 d . . .
H21A H 0.9491 0.1833 1.3204 0.115 Uiso 1 1 calc R . .
C22 C 0.7485(7) 0.20266(18) 1.2831(5) 0.0959(16) Uani 1 1 d . . .
H22A H 0.7732 0.2098 1.3740 0.115 Uiso 1 1 calc R . .
C23 C 0.6072(6) 0.20808(18) 1.1806(5) 0.0997(17) Uani 1 1 d . . .
H23A H 0.5366 0.2192 1.2021 0.120 Uiso 1 1 calc R . .
C24 C 0.5703(5) 0.19704(14) 1.0460(5) 0.0762(12) Uani 1 1 d . . .
H24A H 0.4744 0.2006 0.9772 0.091 Uiso 1 1 calc R . .
C25 C 0.6388(3) 0.21538(9) 0.7540(4) 0.0471(7) Uani 1 1 d . . .
C26 C 0.7093(4) 0.24981(11) 0.8300(4) 0.0679(10) Uani 1 1 d . . .
H26A H 0.7463 0.2498 0.9258 0.082 Uiso 1 1 calc R . .
C27 C 0.7249(6) 0.28466(14) 0.7624(6) 0.0973(17) Uani 1 1 d . . .
H27A H 0.7729 0.3079 0.8135 0.117 Uiso 1 1 calc R . .
C28 C 0.6704(6) 0.28495(15) 0.6222(6) 0.0942(16) Uani 1 1 d . . .
H28A H 0.6836 0.3081 0.5784 0.113 Uiso 1 1 calc R . .
C29 C 0.5969(5) 0.25168(13) 0.5458(5) 0.0715(11) Uani 1 1 d . . .
H29A H 0.5561 0.2524 0.4497 0.086 Uiso 1 1 calc R . .
C30 C 0.5831(4) 0.21665(11) 0.6118(4) 0.0575(8) Uani 1 1 d . . .
H30A H 0.5356 0.1936 0.5594 0.069 Uiso 1 1 calc R . .
C31 C 0.4364(3) 0.15456(10) 0.7508(3) 0.0461(7) Uani 1 1 d . . .
C32 C 0.3307(4) 0.18516(11) 0.6993(4) 0.0592(9) Uani 1 1 d . . .
H32A H 0.3590 0.2127 0.7084 0.071 Uiso 1 1 calc R . .
C33 C 0.1828(4) 0.17514(14) 0.6342(5) 0.0691(10) Uani 1 1 d . . .
H33A H 0.1125 0.1959 0.6017 0.083 Uiso 1 1 calc R . .
C34 C 0.1405(4) 0.13448(14) 0.6179(4) 0.0670(10) Uani 1 1 d . . .
H34A H 0.0414 0.1278 0.5725 0.080 Uiso 1 1 calc R . .
C35 C 0.2440(4) 0.10362(13) 0.6684(4) 0.0626(9) Uani 1 1 d . . .
H35A H 0.2150 0.0761 0.6572 0.075 Uiso 1 1 calc R . .
C36 C 0.3917(4) 0.11373(10) 0.7359(4) 0.0538(8) Uani 1 1 d . . .
H36A H 0.4615 0.0929 0.7717 0.065 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 '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
C1 Ir1 C2 91.98(14) . . ?
C1 Ir1 P1 91.84(11) . . ?
C2 Ir1 P1 175.10(9) . . ?
C1 Ir1 Cl1 177.65(12) . . ?
C2 Ir1 Cl1 85.77(9) . . ?
P1 Ir1 Cl1 90.45(3) . . ?
C19 P1 C25 104.19(15) . . ?
C19 P1 C31 104.27(15) . . ?
C25 P1 C31 102.20(14) . . ?
C19 P1 Ir1 114.11(12) . . ?
C25 P1 Ir1 113.09(10) . . ?
C31 P1 Ir1 117.42(10) . . ?
C2 N1 C5 126.2(3) . . ?
C2 N1 C4 112.9(3) . . ?
C5 N1 C4 120.9(3) . . ?
C2 N2 C12 124.7(3) . . ?
C2 N2 C3 112.8(3) . . ?
C12 N2 C3 121.4(3) . . ?
O1 C1 Ir1 178.4(4) . . ?
N2 C2 N1 108.3(3) . . ?
N2 C2 Ir1 125.6(2) . . ?
N1 C2 Ir1 125.8(2) . . ?
N2 C3 C4 102.6(3) . . ?
N2 C3 H3A 111.2 . . ?
C4 C3 H3A 111.2 . . ?
N2 C3 H3B 111.2 . . ?
C4 C3 H3B 111.2 . . ?
H3A C3 H3B 109.2 . . ?
N1 C4 C3 102.6(3) . . ?
N1 C4 H4A 111.2 . . ?
C3 C4 H4A 111.2 . . ?
N1 C4 H4B 111.2 . . ?
C3 C4 H4B 111.2 . . ?
H4A C4 H4B 109.2 . . ?
N1 C5 C6 114.6(3) . . ?
N1 C5 H5A 108.6 . . ?
C6 C5 H5A 108.6 . . ?
N1 C5 H5B 108.6 . . ?
C6 C5 H5B 108.6 . . ?
H5A C5 H5B 107.6 . . ?
C7 C6 C11 118.9(4) . . ?
C7 C6 C5 120.6(4) . . ?
C11 C6 C5 120.5(4) . . ?
C6 C7 C8 121.3(5) . . ?
C6 C7 H7A 119.4 . . ?
C8 C7 H7A 119.4 . . ?
C9 C8 C7 119.1(5) . . ?
C9 C8 H8A 120.4 . . ?
C7 C8 H8A 120.4 . . ?
C10 C9 C8 120.5(4) . . ?
C10 C9 H9A 119.7 . . ?
C8 C9 H9A 119.7 . . ?
C9 C10 C11 120.2(5) . . ?
C9 C10 H10A 119.9 . . ?
C11 C10 H10A 119.9 . . ?
C6 C11 C10 120.0(5) . . ?
C6 C11 H11A 120.0 . . ?
C10 C11 H11A 120.0 . . ?
N2 C12 C13 113.9(3) . . ?
N2 C12 H12A 108.8 . . ?
C13 C12 H12A 108.8 . . ?
N2 C12 H12B 108.8 . . ?
C13 C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
C18 C13 C14 117.5(4) . . ?
C18 C13 C12 122.6(3) . . ?
C14 C13 C12 119.8(3) . . ?
C15 C14 C13 121.1(4) . . ?
C15 C14 H14A 119.4 . . ?
C13 C14 H14A 119.4 . . ?
C16 C15 C14 120.5(4) . . ?
C16 C15 H15A 119.7 . . ?
C14 C15 H15A 119.7 . . ?
C15 C16 C17 119.3(4) . . ?
C15 C16 H16A 120.4 . . ?
C17 C16 H16A 120.4 . . ?
C16 C17 C18 120.2(4) . . ?
C16 C17 H17A 119.9 . . ?
C18 C17 H17A 119.9 . . ?
C13 C18 C17 121.4(4) . . ?
C13 C18 H18A 119.3 . . ?
C17 C18 H18A 119.3 . . ?
C20 C19 C24 118.3(4) . . ?
C20 C19 P1 118.6(3) . . ?
C24 C19 P1 123.0(3) . . ?
C21 C20 C19 120.9(4) . . ?
C21 C20 H20A 119.5 . . ?
C19 C20 H20A 119.5 . . ?
C22 C21 C20 119.8(5) . . ?
C22 C21 H21A 120.1 . . ?
C20 C21 H21A 120.1 . . ?
C21 C22 C23 120.1(4) . . ?
C21 C22 H22A 120.0 . . ?
C23 C22 H22A 120.0 . . ?
C22 C23 C24 119.9(5) . . ?
C22 C23 H23A 120.0 . . ?
C24 C23 H23A 120.0 . . ?
C23 C24 C19 120.9(4) . . ?
C23 C24 H24A 119.6 . . ?
C19 C24 H24A 119.6 . . ?
C26 C25 C30 118.7(3) . . ?
C26 C25 P1 122.4(3) . . ?
C30 C25 P1 118.5(2) . . ?
C25 C26 C27 119.6(4) . . ?
C25 C26 H26A 120.2 . . ?
C27 C26 H26A 120.2 . . ?
C28 C27 C26 120.5(4) . . ?
C28 C27 H27A 119.7 . . ?
C26 C27 H27A 119.7 . . ?
C29 C28 C27 120.4(4) . . ?
C29 C28 H28A 119.8 . . ?
C27 C28 H28A 119.8 . . ?
C28 C29 C30 119.7(4) . . ?
C28 C29 H29A 120.2 . . ?
C30 C29 H29A 120.2 . . ?
C25 C30 C29 121.1(4) . . ?
C25 C30 H30A 119.5 . . ?
C29 C30 H30A 119.5 . . ?
C32 C31 C36 118.7(3) . . ?
C32 C31 P1 122.1(2) . . ?
C36 C31 P1 119.2(2) . . ?
C31 C32 C33 120.7(3) . . ?
C31 C32 H32A 119.7 . . ?
C33 C32 H32A 119.7 . . ?
C34 C33 C32 119.8(4) . . ?
C34 C33 H33A 120.1 . . ?
C32 C33 H33A 120.1 . . ?
C33 C34 C35 120.4(4) . . ?
C33 C34 H34A 119.8 . . ?
C35 C34 H34A 119.8 . . ?
C34 C35 C36 119.7(4) . . ?
C34 C35 H35A 120.1 . . ?
C36 C35 H35A 120.1 . . ?
C31 C36 C35 120.7(3) . . ?
C31 C36 H36A 119.7 . . ?
C35 C36 H36A 119.7 . . ?
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
Ir1 C1 1.807(4) . ?
Ir1 C2 2.070(3) . ?
Ir1 P1 2.3204(8) . ?
Ir1 Cl1 2.3680(9) . ?
P1 C19 1.827(3) . ?
P1 C25 1.830(3) . ?
P1 C31 1.835(3) . ?
O1 C1 1.128(5) . ?
N1 C2 1.333(4) . ?
N1 C5 1.453(4) . ?
N1 C4 1.464(4) . ?
N2 C2 1.328(4) . ?
N2 C12 1.451(4) . ?
N2 C3 1.469(4) . ?
C3 C4 1.505(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.503(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C7 1.375(5) . ?
C6 C11 1.386(6) . ?
C7 C8 1.391(6) . ?
C7 H7A 0.9300 . ?
C8 C9 1.375(8) . ?
C8 H8A 0.9300 . ?
C9 C10 1.367(8) . ?
C9 H9A 0.9300 . ?
C10 C11 1.392(6) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
C12 C13 1.507(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C18 1.378(5) . ?
C13 C14 1.400(5) . ?
C14 C15 1.382(5) . ?
C14 H14A 0.9300 . ?
C15 C16 1.367(6) . ?
C15 H15A 0.9300 . ?
C16 C17 1.385(6) . ?
C16 H16A 0.9300 . ?
C17 C18 1.387(6) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C20 1.383(5) . ?
C19 C24 1.386(5) . ?
C20 C21 1.382(6) . ?
C20 H20A 0.9300 . ?
C21 C22 1.374(8) . ?
C21 H21A 0.9300 . ?
C22 C23 1.374(8) . ?
C22 H22A 0.9300 . ?
C23 C24 1.379(6) . ?
C23 H23A 0.9300 . ?
C24 H24A 0.9300 . ?
C25 C26 1.379(5) . ?
C25 C30 1.380(5) . ?
C26 C27 1.396(6) . ?
C26 H26A 0.9300 . ?
C27 C28 1.361(8) . ?
C27 H27A 0.9300 . ?
C28 C29 1.358(7) . ?
C28 H28A 0.9300 . ?
C29 C30 1.384(5) . ?
C29 H29A 0.9300 . ?
C30 H30A 0.9300 . ?
C31 C32 1.384(5) . ?
C31 C36 1.385(4) . ?
C32 C33 1.387(5) . ?
C32 H32A 0.9300 . ?
C33 C34 1.372(6) . ?
C33 H33A 0.9300 . ?
C34 C35 1.376(6) . ?
C34 H34A 0.9300 . ?
C35 C36 1.387(5) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
