#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:41:49 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179731 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/27/7002709.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_7002709
loop_
_publ_author_name
'Ye, Wei-Ping'
'Mu, Hong-Liang'
'Shi, Xin-Cui'
'Cheng, Yan-Xiang'
'Li, Yue-Sheng'
_publ_section_title
;
 Synthesis and characterization of the titanium complexes bearing two
 regioisomeric trifluoromethyl-containing enaminoketonato ligands and
 their behavior in ethylene polymerization
;
_journal_issue                   43
_journal_name_full               'Dalton Transactions'
_journal_page_first              9452
_journal_page_last               9465
_journal_paper_doi               10.1039/b906854f
_journal_year                    2009
_chemical_formula_sum            'C28 H30 Cl2 F6 N2 O2 Ti'
_chemical_formula_weight         659.34
_chemical_name_systematic
;
?
;
_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                 113.4400(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5394(4)
_cell_length_b                   37.7491(15)
_cell_length_c                   8.9319(4)
_cell_measurement_reflns_used    8263
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.97
_cell_measurement_theta_min      2.33
_cell_volume                     2951.0(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX 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     0.71073
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0349
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            16997
_diffrn_reflns_theta_full        25.98
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         1.08
_exptl_absorpt_coefficient_mu    0.538
_exptl_absorpt_correction_T_max  0.948
_exptl_absorpt_correction_T_min  0.932
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.362
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5767
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0371
_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)+(0.0700P)²+0.7462P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1152
_reflns_number_gt                4631
_reflns_number_total             5767
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906854f.txt
_cod_data_source_block           3e
_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               7002709
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
Ti1 Ti 0.74417(4) 0.137818(10) 1.13456(5) 0.02107(12) Uani 1 1 d . . .
Cl1 Cl 0.54955(7) 0.120776(18) 1.19921(8) 0.03653(17) Uani 1 1 d . . .
Cl2 Cl 0.88487(7) 0.170904(17) 1.35459(7) 0.03454(17) Uani 1 1 d . . .
F1 F 1.07073(18) 0.04808(5) 1.4079(2) 0.0595(5) Uani 1 1 d . . .
F2 F 0.8649(2) 0.04128(5) 1.4414(2) 0.0610(5) Uani 1 1 d . . .
F3 F 0.9193(2) 0.00566(4) 1.2893(2) 0.0690(6) Uani 1 1 d . . .
F4 F 0.63059(18) 0.26751(4) 0.9123(2) 0.0440(4) Uani 1 1 d . . .
F5 F 0.44834(16) 0.22975(4) 0.8231(2) 0.0457(4) Uani 1 1 d . . .
F6 F 0.5449(2) 0.24304(4) 1.0757(2) 0.0525(5) Uani 1 1 d . . .
N1 N 0.9152(2) 0.15237(5) 1.0279(2) 0.0212(4) Uani 1 1 d . . .
N2 N 0.6455(2) 0.10421(5) 0.9104(2) 0.0206(4) Uani 1 1 d . . .
O1 O 0.64011(17) 0.17781(4) 1.01607(19) 0.0238(3) Uani 1 1 d . . .
O2 O 0.85932(17) 0.09676(4) 1.22870(19) 0.0251(3) Uani 1 1 d . . .
C1 C 0.9409(2) 0.18447(6) 0.9906(3) 0.0221(5) Uani 1 1 d . . .
C2 C 1.0768(3) 0.19707(6) 0.9504(3) 0.0270(5) Uani 1 1 d . . .
C3 C 1.2229(3) 0.17482(7) 1.0186(3) 0.0355(6) Uani 1 1 d . . .
H3A H 1.2045 0.1518 0.9632 0.053 Uiso 1 1 calc R . .
H3B H 1.2527 0.1712 1.1359 0.053 Uiso 1 1 calc R . .
H3C H 1.3050 0.1872 1.0004 0.053 Uiso 1 1 calc R . .
C4 C 1.0194(3) 0.19877(8) 0.7643(3) 0.0447(7) Uani 1 1 d . . .
H4A H 1.1010 0.2077 0.7341 0.067 Uiso 1 1 calc R . .
H4B H 0.9310 0.2147 0.7212 0.067 Uiso 1 1 calc R . .
H4C H 0.9893 0.1750 0.7186 0.067 Uiso 1 1 calc R . .
C5 C 1.1256(3) 0.23449(7) 1.0209(5) 0.0535(9) Uani 1 1 d . . .
H5A H 1.1407 0.2348 1.1360 0.080 Uiso 1 1 calc R . .
H5B H 1.0458 0.2515 0.9599 0.080 Uiso 1 1 calc R . .
H5C H 1.2213 0.2409 1.0116 0.080 Uiso 1 1 calc R . .
C6 C 0.8288(3) 0.21202(6) 0.9740(3) 0.0254(5) Uani 1 1 d . . .
H6 H 0.8547 0.2355 0.9568 0.030 Uiso 1 1 calc R . .
C7 C 0.6925(3) 0.20716(6) 0.9808(3) 0.0233(5) Uani 1 1 d . . .
C8 C 0.5794(3) 0.23719(6) 0.9478(3) 0.0308(6) Uani 1 1 d . . .
C9 C 0.5327(2) 0.12371(6) 0.7783(3) 0.0219(5) Uani 1 1 d . . .
C10 C 0.5733(3) 0.14657(6) 0.6804(3) 0.0278(5) Uani 1 1 d . . .
H10 H 0.6777 0.1496 0.6986 0.033 Uiso 1 1 calc R . .
C11 C 0.4610(3) 0.16480(6) 0.5566(3) 0.0324(6) Uani 1 1 d . . .
H11 H 0.4882 0.1798 0.4871 0.039 Uiso 1 1 calc R . .
C12 C 0.3091(3) 0.16139(7) 0.5327(3) 0.0352(6) Uani 1 1 d . . .
H12 H 0.2324 0.1741 0.4473 0.042 Uiso 1 1 calc R . .
C13 C 0.2697(3) 0.13958(7) 0.6331(3) 0.0349(6) Uani 1 1 d . . .
H13 H 0.1655 0.1373 0.6172 0.042 Uiso 1 1 calc R . .
C14 C 0.3808(3) 0.12086(6) 0.7572(3) 0.0290(5) Uani 1 1 d . . .
H14 H 0.3534 0.1062 0.8276 0.035 Uiso 1 1 calc R . .
C15 C 0.6654(2) 0.07028(6) 0.8958(3) 0.0235(5) Uani 1 1 d . . .
C16 C 0.5945(3) 0.04696(6) 0.7400(3) 0.0289(5) Uani 1 1 d . . .
C17 C 0.7160(3) 0.02044(7) 0.7361(3) 0.0405(7) Uani 1 1 d . . .
H17A H 0.7398 0.0036 0.8264 0.061 Uiso 1 1 calc R . .
H17B H 0.8089 0.0333 0.7473 0.061 Uiso 1 1 calc R . .
H17C H 0.6765 0.0076 0.6322 0.061 Uiso 1 1 calc R . .
C18 C 0.4606(3) 0.02677(8) 0.7530(4) 0.0504(8) Uani 1 1 d . . .
H18A H 0.3810 0.0436 0.7493 0.076 Uiso 1 1 calc R . .
H18B H 0.4963 0.0137 0.8562 0.076 Uiso 1 1 calc R . .
H18C H 0.4186 0.0101 0.6617 0.076 Uiso 1 1 calc R . .
C19 C 0.5395(4) 0.06613(7) 0.5749(3) 0.0435(7) Uani 1 1 d . . .
H19A H 0.5157 0.0487 0.4871 0.065 Uiso 1 1 calc R . .
H19B H 0.6200 0.0820 0.5732 0.065 Uiso 1 1 calc R . .
H19C H 0.4476 0.0799 0.5591 0.065 Uiso 1 1 calc R . .
C20 C 0.7581(3) 0.05018(6) 1.0400(3) 0.0300(5) Uani 1 1 d . . .
H20 H 0.7596 0.0252 1.0283 0.036 Uiso 1 1 calc R . .
C21 C 0.8414(3) 0.06348(6) 1.1878(3) 0.0257(5) Uani 1 1 d . . .
C22 C 0.9249(3) 0.03934(7) 1.3310(3) 0.0347(6) Uani 1 1 d . . .
C23 C 1.0053(2) 0.12271(6) 1.0133(3) 0.0228(5) Uani 1 1 d . . .
C24 C 0.9755(3) 0.10848(6) 0.8602(3) 0.0266(5) Uani 1 1 d . . .
H24 H 0.8964 0.1181 0.7661 0.032 Uiso 1 1 calc R . .
C25 C 1.0624(3) 0.08014(6) 0.8455(3) 0.0329(6) Uani 1 1 d . . .
H25 H 1.0436 0.0706 0.7409 0.039 Uiso 1 1 calc R . .
C26 C 1.1752(3) 0.06595(7) 0.9819(4) 0.0370(6) Uani 1 1 d . . .
H26 H 1.2352 0.0468 0.9715 0.044 Uiso 1 1 calc R . .
C27 C 1.2014(3) 0.07958(6) 1.1342(3) 0.0332(6) Uani 1 1 d . . .
H27 H 1.2788 0.0695 1.2284 0.040 Uiso 1 1 calc R . .
C28 C 1.1160(3) 0.10770(6) 1.1508(3) 0.0276(5) Uani 1 1 d . . .
H28 H 1.1332 0.1167 1.2561 0.033 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'
F F 0.0171 0.0103 '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'
Ti Ti 0.2776 0.4457 '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
O1 Ti1 O2 171.50(7) . . ?
O1 Ti1 N2 90.67(7) . . ?
O2 Ti1 N2 84.05(7) . . ?
O1 Ti1 Cl1 93.97(5) . . ?
O2 Ti1 Cl1 92.53(5) . . ?
N2 Ti1 Cl1 88.35(5) . . ?
O1 Ti1 N1 82.87(7) . . ?
O2 Ti1 N1 89.86(7) . . ?
N2 Ti1 N1 82.99(6) . . ?
Cl1 Ti1 N1 170.73(5) . . ?
O1 Ti1 Cl2 92.50(5) . . ?
O2 Ti1 Cl2 91.56(5) . . ?
N2 Ti1 Cl2 169.38(5) . . ?
Cl1 Ti1 Cl2 101.54(3) . . ?
N1 Ti1 Cl2 87.34(5) . . ?
C1 N1 C23 121.06(18) . . ?
C1 N1 Ti1 125.02(14) . . ?
C23 N1 Ti1 113.80(13) . . ?
C15 N2 C9 120.51(19) . . ?
C15 N2 Ti1 128.20(15) . . ?
C9 N2 Ti1 110.75(13) . . ?
C7 O1 Ti1 130.49(14) . . ?
C21 O2 Ti1 132.69(15) . . ?
N1 C1 C6 118.92(19) . . ?
N1 C1 C2 127.09(19) . . ?
C6 C1 C2 113.88(19) . . ?
C4 C2 C3 109.3(2) . . ?
C4 C2 C5 109.0(2) . . ?
C3 C2 C5 105.1(2) . . ?
C4 C2 C1 107.05(19) . . ?
C3 C2 C1 116.87(19) . . ?
C5 C2 C1 109.3(2) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C1 125.8(2) . . ?
C7 C6 H6 117.1 . . ?
C1 C6 H6 117.1 . . ?
O1 C7 C6 126.9(2) . . ?
O1 C7 C8 111.84(19) . . ?
C6 C7 C8 121.3(2) . . ?
F6 C8 F4 107.6(2) . . ?
F6 C8 F5 106.4(2) . . ?
F4 C8 F5 107.1(2) . . ?
F6 C8 C7 111.1(2) . . ?
F4 C8 C7 112.98(19) . . ?
F5 C8 C7 111.4(2) . . ?
C10 C9 C14 120.0(2) . . ?
C10 C9 N2 121.86(19) . . ?
C14 C9 N2 118.0(2) . . ?
C11 C10 C9 119.5(2) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 120.6(2) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C13 C12 C11 119.7(2) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C12 C13 C14 120.5(2) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C13 C14 C9 119.6(2) . . ?
C13 C14 H14 120.2 . . ?
C9 C14 H14 120.2 . . ?
N2 C15 C20 118.9(2) . . ?
N2 C15 C16 127.9(2) . . ?
C20 C15 C16 113.10(19) . . ?
C18 C16 C19 109.3(2) . . ?
C18 C16 C17 109.6(2) . . ?
C19 C16 C17 104.9(2) . . ?
C18 C16 C15 107.0(2) . . ?
C19 C16 C15 116.9(2) . . ?
C17 C16 C15 108.9(2) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C15 126.3(2) . . ?
C21 C20 H20 116.9 . . ?
C15 C20 H20 116.9 . . ?
O2 C21 C20 126.8(2) . . ?
O2 C21 C22 112.2(2) . . ?
C20 C21 C22 120.9(2) . . ?
F3 C22 F1 107.6(2) . . ?
F3 C22 F2 106.4(2) . . ?
F1 C22 F2 106.0(2) . . ?
F3 C22 C21 113.1(2) . . ?
F1 C22 C21 112.3(2) . . ?
F2 C22 C21 110.9(2) . . ?
C28 C23 C24 120.0(2) . . ?
C28 C23 N1 120.5(2) . . ?
C24 C23 N1 119.4(2) . . ?
C23 C24 C25 119.6(2) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C26 C25 C24 120.1(2) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 120.0(2) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C28 120.6(2) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C27 C28 C23 119.6(2) . . ?
C27 C28 H28 120.2 . . ?
C23 C28 H28 120.2 . . ?
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
Ti1 O1 1.8837(15) . ?
Ti1 O2 1.8925(15) . ?
Ti1 N2 2.2367(18) . ?
Ti1 Cl1 2.2466(7) . ?
Ti1 N1 2.2600(18) . ?
Ti1 Cl2 2.2639(7) . ?
F1 C22 1.325(3) . ?
F2 C22 1.325(3) . ?
F3 C22 1.320(3) . ?
F4 C8 1.331(3) . ?
F5 C8 1.332(3) . ?
F6 C8 1.327(3) . ?
N1 C1 1.305(3) . ?
N1 C23 1.449(3) . ?
N2 C15 1.309(3) . ?
N2 C9 1.443(3) . ?
O1 C7 1.305(3) . ?
O2 C21 1.301(3) . ?
C1 C6 1.457(3) . ?
C1 C2 1.551(3) . ?
C2 C4 1.530(4) . ?
C2 C3 1.531(3) . ?
C2 C5 1.541(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.338(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.511(3) . ?
C9 C10 1.388(3) . ?
C9 C14 1.389(3) . ?
C10 C11 1.379(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.384(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.375(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.385(3) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C20 1.453(3) . ?
C15 C16 1.556(3) . ?
C16 C18 1.531(4) . ?
C16 C19 1.535(3) . ?
C16 C17 1.542(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.338(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.514(3) . ?
C23 C28 1.383(3) . ?
C23 C24 1.390(3) . ?
C24 C25 1.391(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.374(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.381(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.382(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
