#------------------------------------------------------------------------------
#$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $
#$Revision: 91933 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/02/2000262.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_2000262
loop_
_publ_author_name
'Tinant, B.'
'Declercq, J.-P.'
'Roekens, B.'
_publ_section_title
;
 4-Phenylthio-2-(triisopropylsilyl)but-2-enenitrile
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2007
_journal_page_last               2008
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C19 H29 N S Si'
_chemical_formula_weight         331.60
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.50(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.428(3)
_cell_length_b                   24.094(7)
_cell_length_c                   16.197(4)
_cell_volume                     4024.8(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.215
_exptl_crystal_density_diffrn    1.09
_exptl_crystal_F_000             1440
_[local]_cod_data_source_file    ha0040.cif
_[local]_cod_data_source_block   ha0040a
_[local]_cod_chemical_formula_sum_orig 'C19 H29 N1 S1 Si1'
_cod_original_cell_volume        4025(2)
_cod_database_code               2000262
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1A .2084(5) .7334(2) .3548(3)
C2A .2001(4) .7115(2) .4359(3)
C3A .2776(5) .6698(2) .4647(3)
C4A .3773(5) .6426(2) .4195(3)
SI5A .07330(10) .74240(10) .49530(10)
C6A -.0828(4) .7039(2) .4619(3)
C7A -.1336(5) .7107(3) .3688(3)
C8A -.0702(5) .6420(2) .4834(4)
C9A .0550(5) .8173(2) .4629(3)
C10A -.0608(5) .8448(2) .4921(3)
C11A .1763(6) .8522(2) .4850(5)
C12A .1305(5) .7301(2) .6090(3)
C13A .0263(6) .7428(2) .6644(3)
C14A .2579(6) .7585(3) .6441(3)
N15A .2099(5) .7532(2) .2912(3)
S16A .53790(10) .64680(10) .48210(10)
C17A .5604(4) .7197(2) .4935(3)
C18A .5343(5) .7559(3) .4264(4)
C19A .5584(6) .8123(3) .4403(5)
C20A .6090(7) .8318(3) .5175(6)
C21A .6342(6) .7949(3) .5822(4)
C22A .6101(5) .7393(3) .5718(3)
C1B -.1915(5) .5074(2) .1150(3)
C2B -.2054(4) .5281(2) .1956(3)
C3B -.1314(4) .5711(2) .2260(3)
C4B -.0301(4) .5999(2) .1850(3)
SI5B -.33230(10) .49470(10) .25240(10)
C6B -.4927(4) .5274(2) .2109(3)
C7B -.5343(5) .5163(2) .1176(3)
C8B -.4907(5) .5902(2) .2277(3)
C9B -.2869(4) .5117(2) .3663(3)
C10B -.3959(5) .4968(2) .4176(3)
C11B -.1594(5) .4871(3) .4078(3)
C12B -.3339(5) .4190(2) .2243(3)
C13B -.4337(6) .3851(2) .2657(4)
C14B -.2021(6) .3908(2) .2372(4)
N15B -.1832(5) .4885(2) .0505(3)
S16B .12770(10) .59090(10) .24910(10)
C17B .1493(4) .5182(2) .2480(3)
C18B .1816(5) .4908(3) .3231(4)
C19B .2059(7) .4336(4) .3222(6)
C20B .1934(8) .4064(4) .2458(9)
C21B .1625(7) .4353(5) .1756(6)
C22B .1403(5) .4897(3) .1756(4)
_journal_paper_doi 10.1107/S010827019100224X