#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/70/2227051.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2227051
loop_
_publ_author_name
'Chen, Juan'
_publ_section_title
;
 Chloridobis{N-[(dimethylamino)dimethylsilyl]-2,6-dimethylanilido-κ²N,N'}titanium(III)
;
_journal_coeditor_code           RK2217
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m866
_journal_paper_doi               10.1107/S1600536810025092
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ti (C12 H21 N2 Si)2 Cl]'
_chemical_formula_moiety         'C24 H42 Cl N4 Si2 Ti'
_chemical_formula_sum            'C24 H42 Cl N4 Si2 Ti'
_chemical_formula_weight         526.12
_chemical_name_systematic
;
Chloridobis{N-[(dimethylamino)dimethylsilyl]-2,6-dimethylanilido-
κ²N,N'}titanium(III)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 122.894(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.145(5)
_cell_length_b                   9.2718(15)
_cell_length_c                   20.909(3)
_cell_measurement_reflns_used    4223
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.563
_cell_measurement_theta_min      2.309
_cell_volume                     5558.2(15)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART area-detector diffractometer'
_diffrn_measurement_method       'φ and ω 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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0490
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            10981
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.42
_diffrn_standards_decay_%        3.91
_exptl_absorpt_coefficient_mu    0.509
_exptl_absorpt_correction_T_max  0.9275
_exptl_absorpt_correction_T_min  0.8141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2248
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.472
_refine_diff_density_min         -0.481
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4866
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.167
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0715
_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)+(0.0620P)²+21.4919P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1639
_refine_ls_wR_factor_ref         0.1678
_reflns_number_gt                4473
_reflns_number_total             4866
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            rk2217.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2227051
_cod_database_fobs_code          2227051
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ti Ti1 0.15222(2) 0.34275(8) 0.06414(4) 0.0231(2) Uani d . 1 . .
Si Si1 0.14374(4) 0.45890(13) 0.18120(7) 0.0284(3) Uani d . 1 . .
Si Si2 0.12637(4) 0.23530(14) -0.08132(7) 0.0291(3) Uani d . 1 . .
Cl Cl1 0.23284(4) 0.30582(13) 0.13779(7) 0.0399(3) Uani d . 1 . .
N N1 0.12378(11) 0.3088(4) 0.12435(18) 0.0249(7) Uani d . 1 . .
N N2 0.15461(11) 0.5585(4) 0.11873(19) 0.0278(8) Uani d . 1 . .
N N3 0.12846(11) 0.4008(4) -0.04285(18) 0.0266(8) Uani d . 1 . .
N N4 0.13576(12) 0.1310(4) -0.0022(2) 0.0302(8) Uani d . 1 . .
C C1 0.09894(14) 0.1945(4) 0.1318(2) 0.0255(9) Uani d . 1 . .
C C2 0.12258(15) 0.0776(5) 0.1805(2) 0.0310(10) Uani d . 1 . .
C C3 0.0969(2) -0.0339(5) 0.1844(3) 0.0461(13) Uani d . 1 . .
H H3A 0.1126 -0.1127 0.2166 0.055 Uiso calc R 1 . .
C C4 0.0490(2) -0.0317(6) 0.1420(3) 0.0547(15) Uani d . 1 . .
H H4A 0.0321 -0.1075 0.1460 0.066 Uiso calc R 1 . .
C C5 0.02597(18) 0.0816(6) 0.0941(3) 0.0492(14) Uani d . 1 . .
H H5A -0.0068 0.0823 0.0649 0.059 Uiso calc R 1 . .
C C6 0.04990(15) 0.1948(5) 0.0877(3) 0.0347(10) Uani d . 1 . .
C C7 0.17487(16) 0.0709(5) 0.2274(3) 0.0430(12) Uani d . 1 . .
H H7A 0.1849 -0.0171 0.2572 0.064 Uiso calc R 1 . .
H H7B 0.1871 0.1536 0.2612 0.064 Uiso calc R 1 . .
H H7C 0.1864 0.0719 0.1940 0.064 Uiso calc R 1 . .
C C8 0.02325(15) 0.3130(6) 0.0313(3) 0.0456(13) Uani d . 1 . .
H H8A -0.0099 0.2956 0.0064 0.068 Uiso calc R 1 . .
H H8B 0.0314 0.3148 -0.0065 0.068 Uiso calc R 1 . .
H H8C 0.0311 0.4050 0.0576 0.068 Uiso calc R 1 . .
C C9 0.10009(19) 0.5429(6) 0.1969(3) 0.0472(13) Uani d . 1 . .
H H9A 0.1148 0.5659 0.2504 0.071 Uiso calc R 1 . .
H H9B 0.0746 0.4760 0.1814 0.071 Uiso calc R 1 . .
H H9C 0.0882 0.6305 0.1669 0.071 Uiso calc R 1 . .
C C10 0.19967(18) 0.4424(6) 0.2747(3) 0.0453(12) Uani d . 1 . .
H H10A 0.1962 0.4827 0.3142 0.068 Uiso calc R 1 . .
H H10B 0.2238 0.4945 0.2734 0.068 Uiso calc R 1 . .
H H10C 0.2082 0.3415 0.2856 0.068 Uiso calc R 1 . .
C C11 0.11430(17) 0.6473(5) 0.0631(3) 0.0384(11) Uani d . 1 . .
H H11A 0.1152 0.7391 0.0861 0.058 Uiso calc R 1 . .
H H11B 0.0856 0.5973 0.0481 0.058 Uiso calc R 1 . .
H H11C 0.1157 0.6639 0.0186 0.058 Uiso calc R 1 . .
C C12 0.19724(17) 0.6475(5) 0.1534(3) 0.0409(11) Uani d . 1 . .
H H12A 0.1927 0.7351 0.1740 0.061 Uiso calc R 1 . .
H H12B 0.2038 0.6722 0.1150 0.061 Uiso calc R 1 . .
H H12C 0.2233 0.5937 0.1941 0.061 Uiso calc R 1 . .
C C13 0.12235(15) 0.5317(5) -0.0824(2) 0.0293(10) Uani d . 1 . .
C C14 0.07746(16) 0.5910(5) -0.1291(2) 0.0354(11) Uani d . 1 . .
C C15 0.0718(2) 0.7169(6) -0.1689(3) 0.0481(13) Uani d . 1 . .
H H15A 0.0418 0.7561 -0.2004 0.058 Uiso calc R 1 . .
C C16 0.1094(2) 0.7862(6) -0.1633(3) 0.0550(15) Uani d . 1 . .
H H16A 0.1050 0.8702 -0.1916 0.066 Uiso calc R 1 . .
C C17 0.1533(2) 0.7303(5) -0.1156(3) 0.0440(12) Uani d . 1 . .
H H17A 0.1790 0.7789 -0.1104 0.053 Uiso calc R 1 . .
C C18 0.16069(17) 0.6047(5) -0.0751(3) 0.0357(11) Uani d . 1 . .
C C19 0.03519(16) 0.5235(6) -0.1355(3) 0.0473(13) Uani d . 1 . .
H H19A 0.0077 0.5798 -0.1702 0.071 Uiso calc R 1 . .
H H19B 0.0395 0.5215 -0.0857 0.071 Uiso calc R 1 . .
H H19C 0.0313 0.4258 -0.1547 0.071 Uiso calc R 1 . .
C C20 0.20968(17) 0.5505(6) -0.0233(3) 0.0490(13) Uani d . 1 . .
H H20A 0.2311 0.6145 -0.0262 0.074 Uiso calc R 1 . .
H H20B 0.2122 0.4543 -0.0388 0.074 Uiso calc R 1 . .
H H20C 0.2173 0.5478 0.0287 0.074 Uiso calc R 1 . .
C C21 0.17307(18) 0.1982(6) -0.0987(3) 0.0476(13) Uani d . 1 . .
H H21A 0.1593 0.1624 -0.1502 0.071 Uiso calc R 1 . .
H H21B 0.1942 0.1264 -0.0628 0.071 Uiso calc R 1 . .
H H21C 0.1901 0.2864 -0.0924 0.071 Uiso calc R 1 . .
C C22 0.06979(18) 0.1932(6) -0.1711(3) 0.0499(13) Uani d . 1 . .
H H22A 0.0756 0.1580 -0.2089 0.075 Uiso calc R 1 . .
H H22B 0.0509 0.2799 -0.1900 0.075 Uiso calc R 1 . .
H H22C 0.0535 0.1200 -0.1612 0.075 Uiso calc R 1 . .
C C23 0.17362(19) 0.0209(6) 0.0299(3) 0.0484(13) Uani d . 1 . .
H H23A 0.1629 -0.0638 -0.0026 0.073 Uiso calc R 1 . .
H H23B 0.1819 -0.0059 0.0806 0.073 Uiso calc R 1 . .
H H23C 0.2007 0.0606 0.0325 0.073 Uiso calc R 1 . .
C C24 0.09293(18) 0.0616(6) -0.0162(3) 0.0447(13) Uani d . 1 . .
H H24A 0.0875 -0.0273 -0.0443 0.067 Uiso calc R 1 . .
H H24B 0.0667 0.1260 -0.0455 0.067 Uiso calc R 1 . .
H H24C 0.0965 0.0403 0.0321 0.067 Uiso calc R 1 . .
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'
Si Si 0.0817 0.0704 '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'
Cl Cl 0.1484 0.1585 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 Ti1 N3 . . 135.36(14) ?
N1 Ti1 N2 . . 73.69(13) ?
N3 Ti1 N2 . . 101.94(14) ?
N1 Ti1 N4 . . 101.77(13) ?
N3 Ti1 N4 . . 74.68(14) ?
N2 Ti1 N4 . . 169.84(13) ?
N1 Ti1 Cl1 . . 111.41(10) ?
N3 Ti1 Cl1 . . 113.23(10) ?
N2 Ti1 Cl1 . . 95.13(9) ?
N4 Ti1 Cl1 . . 95.00(10) ?
N3 Ti1 Si1 . . 134.19(11) ?
N4 Ti1 Si1 . . 138.01(9) ?
Cl1 Ti1 Si1 . . 97.07(5) ?
N1 Ti1 Si2 . . 130.26(10) ?
N2 Ti1 Si2 . . 138.34(9) ?
Cl1 Ti1 Si2 . . 102.91(4) ?
Si1 Ti1 Si2 . . 159.95(4) ?
N1 Si1 N2 . . 94.26(16) ?
N1 Si1 C10 . . 117.3(2) ?
N2 Si1 C10 . . 108.0(2) ?
N1 Si1 C9 . . 114.0(2) ?
N2 Si1 C9 . . 114.5(2) ?
C10 Si1 C9 . . 108.3(2) ?
C10 Si1 Ti1 . . 110.52(18) ?
C9 Si1 Ti1 . . 141.20(18) ?
N3 Si2 N4 . . 96.25(16) ?
N3 Si2 C21 . . 116.0(2) ?
N4 Si2 C21 . . 109.9(2) ?
N3 Si2 C22 . . 114.6(2) ?
N4 Si2 C22 . . 112.7(2) ?
C21 Si2 C22 . . 107.2(2) ?
C21 Si2 Ti1 . . 118.36(18) ?
C22 Si2 Ti1 . . 134.44(18) ?
C1 N1 Si1 . . 124.5(3) ?
C1 N1 Ti1 . . 135.6(3) ?
Si1 N1 Ti1 . . 99.43(16) ?
C12 N2 C11 . . 108.9(4) ?
C12 N2 Si1 . . 117.9(3) ?
C11 N2 Si1 . . 112.8(3) ?
C12 N2 Ti1 . . 119.6(3) ?
C11 N2 Ti1 . . 109.2(3) ?
Si1 N2 Ti1 . . 87.02(14) ?
C13 N3 Si2 . . 122.5(3) ?
C13 N3 Ti1 . . 136.5(3) ?
Si2 N3 Ti1 . . 99.94(17) ?
C24 N4 C23 . . 108.3(4) ?
C24 N4 Si2 . . 113.1(3) ?
C23 N4 Si2 . . 117.5(3) ?
C24 N4 Ti1 . . 112.7(3) ?
C23 N4 Ti1 . . 116.6(3) ?
Si2 N4 Ti1 . . 87.61(15) ?
C2 C1 C6 . . 119.2(4) ?
C2 C1 N1 . . 121.0(4) ?
C6 C1 N1 . . 119.8(4) ?
C3 C2 C1 . . 119.0(4) ?
C3 C2 C7 . . 119.8(4) ?
C1 C2 C7 . . 121.2(4) ?
C4 C3 C2 . . 121.4(5) ?
C4 C3 H3A . . 119.3 ?
C2 C3 H3A . . 119.3 ?
C5 C4 C3 . . 119.5(5) ?
C5 C4 H4A . . 120.2 ?
C3 C4 H4A . . 120.2 ?
C4 C5 C6 . . 121.4(5) ?
C4 C5 H5A . . 119.3 ?
C6 C5 H5A . . 119.3 ?
C5 C6 C1 . . 119.4(5) ?
C5 C6 C8 . . 119.5(4) ?
C1 C6 C8 . . 121.0(4) ?
C2 C7 H7A . . 109.5 ?
C2 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C2 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
C6 C8 H8A . . 109.5 ?
C6 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C6 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
Si1 C9 H9A . . 109.5 ?
Si1 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
Si1 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
Si1 C10 H10A . . 109.5 ?
Si1 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
Si1 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
N2 C11 H11A . . 109.5 ?
N2 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
N2 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
N2 C12 H12A . . 109.5 ?
N2 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
N2 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
C18 C13 C14 . . 119.1(4) ?
C18 C13 N3 . . 121.0(4) ?
C14 C13 N3 . . 119.9(4) ?
C15 C14 C13 . . 119.4(5) ?
C15 C14 C19 . . 118.8(4) ?
C13 C14 C19 . . 121.9(4) ?
C16 C15 C14 . . 121.3(5) ?
C16 C15 H15A . . 119.3 ?
C14 C15 H15A . . 119.3 ?
C17 C16 C15 . . 118.9(5) ?
C17 C16 H16A . . 120.6 ?
C15 C16 H16A . . 120.6 ?
C16 C17 C18 . . 121.9(5) ?
C16 C17 H17A . . 119.1 ?
C18 C17 H17A . . 119.1 ?
C17 C18 C13 . . 119.4(5) ?
C17 C18 C20 . . 119.1(4) ?
C13 C18 C20 . . 121.6(4) ?
C14 C19 H19A . . 109.5 ?
C14 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C14 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C18 C20 H20A . . 109.5 ?
C18 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C18 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
Si2 C21 H21A . . 109.5 ?
Si2 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
Si2 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
Si2 C22 H22A . . 109.5 ?
Si2 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
Si2 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
N4 C23 H23A . . 109.5 ?
N4 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
N4 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
N4 C24 H24A . . 109.5 ?
N4 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
N4 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ti1 N1 . 1.989(3) y
Ti1 N3 . 1.995(3) y
Ti1 N2 . 2.282(4) y
Ti1 N4 . 2.291(4) y
Ti1 Cl1 . 2.3374(13) y
Si1 N1 . 1.713(4) ?
Si1 N2 . 1.795(4) ?
Si1 C10 . 1.855(5) ?
Si1 C9 . 1.861(5) ?
Si2 N3 . 1.716(4) ?
Si2 N4 . 1.789(4) ?
Si2 C21 . 1.851(5) ?
Si2 C22 . 1.863(5) ?
N1 C1 . 1.418(5) ?
N2 C12 . 1.476(5) ?
N2 C11 . 1.479(6) ?
N3 C13 . 1.419(5) ?
N4 C24 . 1.474(6) ?
N4 C23 . 1.490(6) ?
C1 C2 . 1.403(6) ?
C1 C6 . 1.406(6) ?
C2 C3 . 1.387(6) ?
C2 C7 . 1.500(6) ?
C3 C4 . 1.374(8) ?
C3 H3A . 0.9400 ?
C4 C5 . 1.367(8) ?
C4 H4A . 0.9400 ?
C5 C6 . 1.381(6) ?
C5 H5A . 0.9400 ?
C6 C8 . 1.501(7) ?
C7 H7A . 0.9700 ?
C7 H7B . 0.9700 ?
C7 H7C . 0.9700 ?
C8 H8A . 0.9700 ?
C8 H8B . 0.9700 ?
C8 H8C . 0.9700 ?
C9 H9A . 0.9700 ?
C9 H9B . 0.9700 ?
C9 H9C . 0.9700 ?
C10 H10A . 0.9700 ?
C10 H10B . 0.9700 ?
C10 H10C . 0.9700 ?
C11 H11A . 0.9700 ?
C11 H11B . 0.9700 ?
C11 H11C . 0.9700 ?
C12 H12A . 0.9700 ?
C12 H12B . 0.9700 ?
C12 H12C . 0.9700 ?
C13 C18 . 1.406(6) ?
C13 C14 . 1.407(6) ?
C14 C15 . 1.386(7) ?
C14 C19 . 1.511(7) ?
C15 C16 . 1.383(8) ?
C15 H15A . 0.9400 ?
C16 C17 . 1.374(8) ?
C16 H16A . 0.9400 ?
C17 C18 . 1.380(7) ?
C17 H17A . 0.9400 ?
C18 C20 . 1.502(7) ?
C19 H19A . 0.9700 ?
C19 H19B . 0.9700 ?
C19 H19C . 0.9700 ?
C20 H20A . 0.9700 ?
C20 H20B . 0.9700 ?
C20 H20C . 0.9700 ?
C21 H21A . 0.9700 ?
C21 H21B . 0.9700 ?
C21 H21C . 0.9700 ?
C22 H22A . 0.9700 ?
C22 H22B . 0.9700 ?
C22 H22C . 0.9700 ?
C23 H23A . 0.9700 ?
C23 H23B . 0.9700 ?
C23 H23C . 0.9700 ?
C24 H24A . 0.9700 ?
C24 H24B . 0.9700 ?
C24 H24C . 0.9700 ?
