#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:10:55 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178598 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/09/4070991.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_4070991
loop_
_publ_author_name
'He, Xuyang'
'Hurley, Erin'
'Noll, Bruce C.'
'Henderson, Kenneth W.'
_publ_section_title
;
 Regio- and Stereoselective Enolizations Using Calcium
 Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution
 Studies
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3094
_journal_paper_doi               10.1021/om7011908
_journal_volume                  27
_journal_year                    2008
_chemical_compound_source        synthesized
_chemical_formula_moiety         'C39 H75 Ca2 O9, C18 H54 Ca1 N3 Si6'
_chemical_formula_sum            'C57 H129 Ca3 N3 O9 Si6'
_chemical_formula_weight         1289.41
_space_group_IT_number           146
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   17.82680(10)
_cell_length_b                   17.82680(10)
_cell_length_c                   20.7329(2)
_cell_measurement_reflns_used    7289
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35.97
_cell_measurement_theta_min      2.28
_cell_volume                     5706.07(7)
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004; Sheldrick, 2003)'
_computing_molecular_graphics    'XP (Sheldrick, 1998)'
_computing_publication_material  'XCIF (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       'φ and ω 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  0.0348
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            62830
_diffrn_reflns_theta_full        36.30
_diffrn_reflns_theta_max         36.30
_diffrn_reflns_theta_min         1.64
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Siemens KFFMO2K-90'
_exptl_absorpt_coefficient_mu    0.358
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.90
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Blessing, R. H. (1995) Acta Cryst. A51, 33-38.'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.126
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2124
_exptl_crystal_recrystallization_method
'recrystallized on standing from thf solution'
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.558
_refine_diff_density_min         -0.247
_refine_diff_density_rms         0.047
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.016(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         12061
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0295
_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)+(0.0381P)²+1.0486P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0686
_refine_ls_wR_factor_ref         0.0712
_reflns_number_gt                11097
_reflns_number_total             12061
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om7011908-file001.cif
_cod_data_source_block           compound16
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               4070991
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
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
Ca1 Ca 0.3333 0.6667 -0.025386(12) 0.01421(4) Uani 1 3 d S
Ca2 Ca 0.3333 0.6667 0.126123(13) 0.01614(5) Uani 1 3 d S
O1 O 0.42456(4) 0.76372(4) 0.04963(3) 0.01822(10) Uani 1 1 d .
O2 O 0.38487(5) 0.78403(4) -0.10100(3) 0.02150(12) Uani 1 1 d .
O3 O 0.26782(5) 0.54970(5) 0.20306(4) 0.02713(14) Uani 1 1 d .
C1 C 0.37955(8) 0.89395(7) 0.08665(6) 0.0306(2) Uani 1 1 d .
H1A H 0.3359 0.8353 0.0733 0.046 Uiso 1 1 calc R
H1B H 0.3674 0.9362 0.0660 0.046 Uiso 1 1 calc R
H1C H 0.3777 0.8991 0.1336 0.046 Uiso 1 1 calc R
C2 C 0.46759(7) 0.91119(6) 0.06683(5) 0.02548(17) Uani 1 1 d .
H2 H 0.5139 0.9694 0.0668 0.031 Uiso 1 1 calc R
C3 C 0.48444(6) 0.84834(5) 0.04904(4) 0.01926(14) Uani 1 1 d .
C4 C 0.57235(6) 0.86610(6) 0.02586(5) 0.02601(17) Uani 1 1 d .
H4A H 0.5675 0.8516 -0.0206 0.031 Uiso 1 1 calc R
H4B H 0.5864 0.8259 0.0486 0.031 Uiso 1 1 calc R
C5 C 0.64845(7) 0.95764(7) 0.03439(8) 0.0383(3) Uani 1 1 d .
H5A H 0.6377 0.9983 0.0098 0.057 Uiso 1 1 calc R
H5B H 0.7015 0.9602 0.0187 0.057 Uiso 1 1 calc R
H5C H 0.6551 0.9733 0.0802 0.057 Uiso 1 1 calc R
C6 C 0.43913(8) 0.80016(8) -0.15721(6) 0.0314(2) Uani 1 1 d .
H6A H 0.4086 0.7540 -0.1897 0.038 Uiso 1 1 calc R
H6B H 0.4935 0.8015 -0.1450 0.038 Uiso 1 1 calc R
C7 C 0.45848(9) 0.88661(8) -0.18406(6) 0.0360(2) Uani 1 1 d .
H7A H 0.4595 0.8864 -0.2318 0.043 Uiso 1 1 calc R
H7B H 0.5147 0.9338 -0.1680 0.043 Uiso 1 1 calc R
C8 C 0.38341(9) 0.89633(8) -0.15888(6) 0.0325(2) Uani 1 1 d .
H8A H 0.3998 0.9581 -0.1555 0.039 Uiso 1 1 calc R
H8B H 0.3319 0.8659 -0.1870 0.039 Uiso 1 1 calc R
C9 C 0.36688(7) 0.85433(6) -0.09301(5) 0.02455(16) Uani 1 1 d .
H9A H 0.4058 0.8962 -0.0603 0.029 Uiso 1 1 calc R
H9B H 0.3060 0.8320 -0.0796 0.029 Uiso 1 1 calc R
C10 C 0.21470(9) 0.54044(8) 0.25875(6) 0.0370(3) Uani 1 1 d .
H10A H 0.1644 0.5465 0.2461 0.044 Uiso 1 1 calc R
H10B H 0.2488 0.5850 0.2915 0.044 Uiso 1 1 calc R
C11 C 0.18469(13) 0.45046(10) 0.28519(8) 0.0554(4) Uani 1 1 d .
H11A H 0.1829 0.4502 0.3329 0.066 Uiso 1 1 calc R
H11B H 0.1265 0.4082 0.2685 0.066 Uiso 1 1 calc R
C12 C 0.25193(11) 0.43013(9) 0.26108(6) 0.0439(3) Uani 1 1 d .
H12A H 0.2288 0.3669 0.2585 0.053 Uiso 1 1 calc R
H12B H 0.3041 0.4565 0.2889 0.053 Uiso 1 1 calc R
C13 C 0.27137(10) 0.47106(8) 0.19496(6) 0.0348(2) Uani 1 1 d .
H13A H 0.3295 0.4842 0.1802 0.042 Uiso 1 1 calc R
H13B H 0.2277 0.4322 0.1632 0.042 Uiso 1 1 calc R
Ca3 Ca 0.0000 0.0000 0.889315(19) 0.02254(6) Uani 1 3 d S
N1 N 0.02785(5) 0.14093(5) 0.88988(4) 0.01900(12) Uani 1 1 d .
Si1 Si 0.093976(18) 0.205592(16) 0.831176(13) 0.02218(5) Uani 1 1 d .
Si2 Si -0.026668(17) 0.165515(16) 0.944716(12) 0.01948(5) Uani 1 1 d .
C14 C 0.04401(11) 0.25703(9) 0.78030(6) 0.0405(3) Uani 1 1 d .
H14A H -0.0119 0.2119 0.7635 0.061 Uiso 1 1 calc R
H14B H 0.0827 0.2882 0.7442 0.061 Uiso 1 1 calc R
H14C H 0.0353 0.2976 0.8067 0.061 Uiso 1 1 calc R
C15 C 0.20032(8) 0.29809(8) 0.85996(7) 0.0388(3) Uani 1 1 d .
H15A H 0.1896 0.3359 0.8880 0.058 Uiso 1 1 calc R
H15B H 0.2349 0.3312 0.8228 0.058 Uiso 1 1 calc R
H15C H 0.2318 0.2752 0.8841 0.058 Uiso 1 1 calc R
C16 C 0.12147(8) 0.14043(7) 0.77383(5) 0.0310(2) Uani 1 1 d .
H16A H 0.1473 0.1117 0.7980 0.047 Uiso 1 1 calc R
H16B H 0.1628 0.1791 0.7415 0.047 Uiso 1 1 calc R
H16C H 0.0686 0.0967 0.7523 0.047 Uiso 1 1 calc R
C17 C -0.12479(9) 0.16690(10) 0.91208(7) 0.0388(3) Uani 1 1 d .
H17A H -0.1065 0.2130 0.8798 0.058 Uiso 1 1 calc R
H17B H -0.1548 0.1776 0.9474 0.058 Uiso 1 1 calc R
H17C H -0.1641 0.1109 0.8921 0.058 Uiso 1 1 calc R
C18 C 0.04141(9) 0.27324(7) 0.98512(6) 0.0351(2) Uani 1 1 d .
H18A H 0.0950 0.2772 1.0012 0.053 Uiso 1 1 calc R
H18B H 0.0092 0.2789 1.0213 0.053 Uiso 1 1 calc R
H18C H 0.0556 0.3198 0.9540 0.053 Uiso 1 1 calc R
C19 C -0.07037(7) 0.08039(6) 1.01015(5) 0.02567(17) Uani 1 1 d .
H19A H -0.1095 0.0237 0.9910 0.039 Uiso 1 1 calc R
H19B H -0.1021 0.0946 1.0419 0.039 Uiso 1 1 calc R
H19C H -0.0222 0.0787 1.0315 0.039 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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ca Ca 0.2262 0.3064 '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
O1 Ca1 O1 78.93(2) 3_565 .
O1 Ca1 O1 78.93(2) 3_565 2_665
O1 Ca1 O1 78.93(2) . 2_665
O1 Ca1 O2 88.13(2) 3_565 3_565
O1 Ca1 O2 115.76(2) . 3_565
O1 Ca1 O2 158.36(2) 2_665 3_565
O1 Ca1 O2 158.36(2) 3_565 .
O1 Ca1 O2 88.13(2) . .
O1 Ca1 O2 115.75(2) 2_665 .
O2 Ca1 O2 81.93(3) 3_565 .
O1 Ca1 O2 115.75(2) 3_565 2_665
O1 Ca1 O2 158.36(2) . 2_665
O1 Ca1 O2 88.12(2) 2_665 2_665
O2 Ca1 O2 81.93(3) 3_565 2_665
O2 Ca1 O2 81.93(3) . 2_665
O1 Ca2 O1 78.08(2) . 3_565
O1 Ca2 O1 78.08(2) . 2_665
O1 Ca2 O1 78.07(2) 3_565 2_665
O1 Ca2 O3 91.04(2) . 2_665
O1 Ca2 O3 112.76(3) 3_565 2_665
O1 Ca2 O3 162.98(3) 2_665 2_665
O1 Ca2 O3 162.98(3) . .
O1 Ca2 O3 91.04(2) 3_565 .
O1 Ca2 O3 112.76(3) 2_665 .
O3 Ca2 O3 81.05(3) 2_665 .
O1 Ca2 O3 112.76(3) . 3_565
O1 Ca2 O3 162.97(3) 3_565 3_565
O1 Ca2 O3 91.04(2) 2_665 3_565
O3 Ca2 O3 81.05(3) 2_665 3_565
O3 Ca2 O3 81.05(3) . 3_565
C3 O1 Ca1 135.04(5) . .
C3 O1 Ca2 135.52(6) . .
Ca1 O1 Ca2 86.12(2) . .
C6 O2 C9 109.55(7) . .
C6 O2 Ca1 128.70(6) . .
C9 O2 Ca1 121.69(5) . .
C13 O3 C10 108.98(9) . .
C13 O3 Ca2 121.65(6) . .
C10 O3 Ca2 129.16(7) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 C1 123.39(9) . .
C3 C2 H2 118.3 . .
C1 C2 H2 118.3 . .
O1 C3 C2 123.26(9) . .
O1 C3 C4 113.33(8) . .
C2 C3 C4 123.41(8) . .
C3 C4 C5 117.48(10) . .
C3 C4 H4A 107.9 . .
C5 C4 H4A 107.9 . .
C3 C4 H4B 107.9 . .
C5 C4 H4B 107.9 . .
H4A C4 H4B 107.2 . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O2 C6 C7 106.79(9) . .
O2 C6 H6A 110.4 . .
C7 C6 H6A 110.4 . .
O2 C6 H6B 110.4 . .
C7 C6 H6B 110.4 . .
H6A C6 H6B 108.6 . .
C6 C7 C8 102.97(9) . .
C6 C7 H7A 111.2 . .
C8 C7 H7A 111.2 . .
C6 C7 H7B 111.2 . .
C8 C7 H7B 111.2 . .
H7A C7 H7B 109.1 . .
C9 C8 C7 102.57(9) . .
C9 C8 H8A 111.3 . .
C7 C8 H8A 111.3 . .
C9 C8 H8B 111.3 . .
C7 C8 H8B 111.3 . .
H8A C8 H8B 109.2 . .
O2 C9 C8 104.59(8) . .
O2 C9 H9A 110.8 . .
C8 C9 H9A 110.8 . .
O2 C9 H9B 110.8 . .
C8 C9 H9B 110.8 . .
H9A C9 H9B 108.9 . .
O3 C10 C11 105.86(11) . .
O3 C10 H10A 110.6 . .
C11 C10 H10A 110.6 . .
O3 C10 H10B 110.6 . .
C11 C10 H10B 110.6 . .
H10A C10 H10B 108.7 . .
C12 C11 C10 103.48(11) . .
C12 C11 H11A 111.1 . .
C10 C11 H11A 111.1 . .
C12 C11 H11B 111.1 . .
C10 C11 H11B 111.1 . .
H11A C11 H11B 109.0 . .
C11 C12 C13 101.76(12) . .
C11 C12 H12A 111.4 . .
C13 C12 H12A 111.4 . .
C11 C12 H12B 111.4 . .
C13 C12 H12B 111.4 . .
H12A C12 H12B 109.3 . .
O3 C13 C12 104.63(10) . .
O3 C13 H13A 110.8 . .
C12 C13 H13A 110.8 . .
O3 C13 H13B 110.8 . .
C12 C13 H13B 110.8 . .
H13A C13 H13B 108.9 . .
N1 Ca3 N1 119.998(1) 3 .
N1 Ca3 N1 119.998(1) 3 2
N1 Ca3 N1 119.996(1) . 2
Si1 N1 Si2 127.21(5) . .
Si1 N1 Ca3 115.96(4) . .
Si2 N1 Ca3 116.60(4) . .
N1 Si1 C15 115.08(5) . .
N1 Si1 C14 113.40(6) . .
C15 Si1 C14 105.36(7) . .
N1 Si1 C16 109.97(4) . .
C15 Si1 C16 106.31(6) . .
C14 Si1 C16 106.10(6) . .
N1 Si2 C18 113.81(5) . .
N1 Si2 C17 114.79(5) . .
C18 Si2 C17 106.00(7) . .
N1 Si2 C19 109.55(4) . .
C18 Si2 C19 107.28(5) . .
C17 Si2 C19 104.79(6) . .
Si1 C14 H14A 109.5 . .
Si1 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
Si1 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
Si1 C15 H15A 109.5 . .
Si1 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
Si1 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
Si1 C16 H16A 109.5 . .
Si1 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
Si1 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
Si2 C17 H17A 109.5 . .
Si2 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
Si2 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Si2 C18 H18A 109.5 . .
Si2 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Si2 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
Si2 C19 H19A 109.5 . .
Si2 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si2 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ca1 O1 2.2897(6) 3_565
Ca1 O1 2.2898(6) .
Ca1 O1 2.2898(6) 2_665
Ca1 O2 2.3993(7) 3_565
Ca1 O2 2.3994(7) .
Ca1 O2 2.3994(7) 2_665
Ca2 O1 2.3108(7) .
Ca2 O1 2.3108(6) 3_565
Ca2 O1 2.3109(7) 2_665
Ca2 O3 2.4126(7) 2_665
Ca2 O3 2.4126(7) .
Ca2 O3 2.4127(7) 3_565
O1 C3 1.3435(10) .
O2 C6 1.4487(12) .
O2 C9 1.4501(11) .
O3 C13 1.4445(14) .
O3 C10 1.4495(13) .
C1 C2 1.4982(16) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.3483(13) .
C2 H2 0.9500 .
C3 C4 1.5136(14) .
C4 C5 1.5235(14) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.5073(16) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.5251(18) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.5138(15) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.517(2) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.501(3) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.5097(17) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
Ca3 N1 2.3045(7) 3
Ca3 N1 2.3046(7) .
Ca3 N1 2.3046(7) 2
N1 Si1 1.6854(8) .
N1 Si2 1.6897(8) .
Si1 C15 1.8823(12) .
Si1 C14 1.8878(13) .
Si1 C16 1.8901(11) .
Si2 C18 1.8793(11) .
Si2 C17 1.8871(12) .
Si2 C19 1.8889(10) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
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 .
