#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000262.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_2000262 _journal_name_full 'Acta Cryst. C' _journal_year 1991 _journal_volume 47 _journal_page_first 2007 _journal_page_last 2008 loop_ _publ_author_name 'Tinant, B.' 'Declercq, J.P.' 'Roekens, B.' _chemical_formula_sum 'C19 H29 N1 S1 Si1' _chemical_formula_weight 331.60 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _cell_length_a 10.428(3) _cell_length_b 24.094(7) _cell_length_c 16.197(4) _cell_angle_alpha 90 _cell_angle_beta 98.50(2) _cell_angle_gamma 90 _cell_volume 4025(2) _cell_formula_units_Z 8 _exptl_crystal_density_diffrn 1.09 _exptl_crystal_density_meas ? _exptl_crystal_F_000 1440 _exptl_absorpt_coefficient_mu 0.215 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 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)