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#$Date: 2018-06-17 18:45:41 +0300 (Sun, 17 Jun 2018) $
#$Revision: 208466 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/03/2000388.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_2000388
loop_
_publ_author_name
'Barnes, C. L.'
'Soderquist, J. A.'
_publ_section_title
;
 cis-1,1-Dimethyl-2,6-diphenyl-1-silacyclohexan-4-one
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2222
_journal_page_last               2224
_journal_paper_doi               10.1107/S0108270192002828
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C19 H22 O Si'
_chemical_formula_weight         294.5
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.896(3)
_cell_length_b                   11.006(3)
_cell_length_c                   17.310(6)
_cell_volume                     1694.8(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.10
_exptl_crystal_density_diffrn    1.154
_exptl_crystal_density_meas      1.150
_exptl_crystal_F_000             632
_cod_data_source_file            gr0200.cif
_cod_data_source_block           gr0200a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        1695(2)
_cod_original_formula_sum        'C19 H22 O1 Si1'
_cod_database_code               2000388
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 x+1/2,-y+1/2,-z
4 -x,y+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si1 .1587(2) .0432(2) .06410(10) .0480(10)
C2 .2517(6) .0468(5) .1636(3) .048(3)
C3 .1274(6) .0483(6) .2253(3) .057(3)
C4 .0300(6) -.0611(6) .2221(3) .059(4)
O4 .0296(5) -.1377(4) .2731(3) .086(3)
C5 -.0672(7) -.0771(6) .1509(3) .072(4)
C6 .0211(6) -.0875(5) .0758(3) .056(4)
C7 .0618(7) .1891(5) .0419(3) .062(4)
C8 .2992(6) .0058(5) -.0111(3) .062(4)
C9 .3665(7) .1452(5) .1709(3) .047(3)
C10 .3306(7) .2658(6) .1862(3) .062(4)
C11 .4418(10) .3547(6) .1889(4) .074(5)
C12 .5889(9) .3253(7) .1785(4) .075(5)
C13 .6255(7) .2068(8) .1622(3) .074(5)
C14 .5181(7) .1173(6) .1586(3) .057(4)
C15 -.0735(7) -.1062(5) .0042(3) .057(4)
C16 -.2107(7) -.0515(7) -.0083(3) .065(4)
C17 -.2896(7) -.0711(7) -.0765(4) .077(5)
C18 -.2331(9) -.1432(7) -.1339(4) .077(5)
C19 -.0981(10) -.1983(6) -.1228(4) .077(5)
C20 -.0190(8) -.1812(5) -.0546(4) .070(4)
H2 .318 -.034 .172 .06
H3A .058 .128 .217 .06
H3B .179 .053 .282 .06
H5A -.133 -.159 .158 .06
H5B -.141 .000 .147 .06
H6 .084 -.171 .081 .06
H7A -.019 .209 .087 .06
H7B .005 .182 -.013 .06
H7C .144 .262 .039 .06
H8A .354 -.079 .003 .06
H8B .382 .077 -.014 .06
H8C .244 -.003 -.066 .06
H10 .215 .291 .196 .06
H11 .411 .448 .199 .06
H12 .675 .394 .183 .06
H13 .742 .183 .152 .06
H14 .551 .025 .146 .06
H16 -.257 .007 .035 .06
H17 -.398 -.028 -.084 .06
H18 -.295 -.156 -.187 .06
H19 -.052 -.256 -.167 .06
H20 .087 -.227 -.047 .06
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Si1 C2 1.910(5)
Si1 C8 1.852(6)
C3 C4 1.485(9)
C5 C6 1.524(8)
C9 C14 1.399(9)
C12 C13 1.374(11)
C15 C20 1.397(9)
C18 C19 1.358(11)
Si1 C6 1.900(6)
C2 C3 1.539(7)
C4 O4 1.220(8)
C6 C15 1.513(8)
C10 C11 1.392(10)
C13 C14 1.373(10)
C16 C17 1.390(9)
C19 C20 1.388(10)
Si1 C7 1.863(6)
C2 C9 1.494(8)
C4 C5 1.516(8)
C9 C10 1.391(8)
C11 C12 1.360(12)
C15 C16 1.378(9)
C17 C18 1.368(10)
