#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/2/2005266.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_2005266 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1996 _journal_volume 52 _journal_page_first 2063 _journal_page_last 2066 _publ_section_title ; Two N-Aryl-Substituted Silyl Carbamates ; _chemical_formula_iupac 'C14 H23 N1 O2 Si1' _chemical_formula_sum 'C14 H23 N O2 Si' _chemical_formula_weight 265.42 _symmetry_cell_setting monoclinic _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _[local]_cod_cif_authors_sg_H-M 'C c' 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' _cell_length_a 18.508(5) _cell_length_b 6.240(9) _cell_length_c 28.128(6) _cell_angle_alpha 90 _cell_angle_beta 94.57(2) _cell_angle_gamma 90 _cell_volume 3238(5) _cell_formula_units_Z 8 _exptl_crystal_density_diffrn 1.089 _cell_measurement_temperature 293(2) loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Si1 1 1.03601(9) -.0336(3) .53953(7) .0592(5) C1 1 1.2432(3) .261(1) .5356(2) .051(2) C2 1 1.2432(4) .439(1) .5644(2) .066(2) H2 1 1.2142(4) .556(1) .5556(2) .096(9) C3 1 1.2871(5) .442(2) .6071(3) .085(2) H3 1 1.2869(5) .561(2) .6270(3) .096(9) C4 1 1.3297(4) .272(2) .6195(3) .085(2) H4 1 1.3588(4) .275(2) .6480(3) .096(9) C5 1 1.3308(4) .098(2) .5911(3) .087(3) H5 1 1.3608(4) -.018(2) .5999(3) .096(9) C6 1 1.2870(4) .092(1) .5489(2) .067(2) H6 1 1.2873(4) -.029(1) .5294(2) .096(9) N7 1 1.1992(2) .2572(9) .4909(2) .056(1) C8 1 1.1300(3) .183(1) .4901(2) .054(2) O9 1 1.1181(2) .0755(8) .5302(2) .070(1) C10 1 1.0565(5) -0.180(2) .5959(3) .098(3) H10A 1 1.0722(5) -.080(2) .6206(3) .119(6) H10B 1 1.0942(5) -0.282(2) .5920(3) .119(6) H10C 1 1.0137(5) -0.253(2) .6045(3) .119(6) C11 1 .9700(4) .184(1) .5461(3) .099(3) H11A 1 .9879(4) .279(1) .5712(3) .119(6) H11B 1 .9246(4) .124(1) .5538(3) .119(6) H11C 1 .9630(4) .262(1) .5167(3) .119(6) C12 1 1.0061(4) -0.222(1) .4923(3) .080(2) H12A 1 .9954(4) -0.146(1) .4630(3) .119(6) H12B 1 .9633(4) -0.295(1) .5008(3) .119(6) H12C 1 1.0437(4) -0.325(1) .4884(3) .119(6) O13 1 1.0831(2) .2088(9) .4585(2) .073(1) C14 1 1.2253(3) .368(1) .4475(2) .057(2) C15 1 1.2120(4) .222(1) .4045(2) .074(2) H15A 1 1.2364(4) .088(1) .4106(2) .119(6) H15B 1 1.2303(4) .289(1) .3771(2) .119(6) H15C 1 1.1609(4) .197(1) .3984(2) .119(6) C16 1 1.1877(4) .581(1) .4392(3) .078(2) H16A 1 1.1969(4) .670(1) .4668(3) .119(6) H16B 1 1.1365(4) .558(1) .4333(3) .119(6) H16C 1 1.2058(4) .650(1) .4120(3) .119(6) C17 1 1.3064(4) .405(2) .4560(3) .091(3) H17A 1 1.3307(4) .270(2) .4613(3) .119(6) H17B 1 1.3160(4) .495(2) .4834(3) .119(6) H17C 1 1.3238(4) .474(2) .4285(3) .119(6) Si1' 1 .69433(9) .2270(3) .25114(7) .0557(5) C1' 1 .9077(3) .4816(9) .2665(2) .044(1) C2' 1 .9545(3) .415(1) .2334(2) .057(2) H2' 1 .9737(3) .278(1) .2349(2) .096(9) C3' 1 .9725(4) .555(1) .1981(2) .068(2) H3' 1 1.0051(4) .513(1) .1765(2) .096(9) C4' 1 .9426(4) .756(1) .1949(2) .070(2) H4' 1 .9532(4) .847(1) .1702(2) .096(9) C5' 1 .8968(4) .823(1) .2280(3) .070(2) H5' 1 .8778(4) .961(1) .2266(3) .096(9) C6' 1 .8793(3) .684(1) .2635(2) .052(2) H6' 1 .8477(3) .729(1) .2856(2) .096(9) N7' 1 .8897(2) .3386(8) .3045(2) .048(1) C8' 1 .8231(3) .246(1) .3012(2) .052(1) O9' 1 .7841(2) .2912(7) .2607(1) .059(1) C10' 1 .6698(4) .351(1) .1929(2) .080(2) H10D 1 .6974(4) .287(1) .1693(2) .119(6) H10E 1 .6801(4) .502(1) .1947(2) .119(6) H10F 1 .6190(4) .330(1) .1844(2) .119(6) C11' 1 .6852(4) -.066(1) .2483(3) .090(3) H11D 1 .7129(4) -0.121(1) .2236(3) .119(6) H11E 1 .6351(4) -0.103(1) .2416(3) .119(6) H11F 1 .7028(4) -0.127(1) .2784(3) .119(6) C12' 1 .6431(4) .345(1) .2975(3) .083(2) H12D 1 .6569(4) .278(1) .3275(3) .119(6) H12E 1 .5922(4) .324(1) .2895(3) .119(6) H12F 1 .6533(4) .496(1) .2999(3) .119(6) O13' 1 .8011(2) .1291(8) .3316(2) .070(1) C14' 1 .9407(3) .311(1) .3488(2) .048(1) C15' 1 .9053(4) .406(1) .3910(3) .077(2) H15D 1 .8940(4) .554(1) .3848(3) .119(6) H15E 1 .9380(4) .395(1) .4192(3) .119(6) H15F 1 .8616(4) .329(1) .3958(3) .119(6) C16' 1 .9599(4) .077(1) .3565(2) .068(2) H16D 1 .9820(4) .023(1) .3292(2) .119(6) H16E 1 .9166(4) -.003(1) .3609(2) .119(6) H16F 1 .9931(4) .063(1) .3843(2) .119(6) C17' 1 1.0105(3) .436(1) .3433(3) .079(2) H17D 1 .9993(3) .585(1) .3384(3) .119(6) H17E 1 1.0337(3) .382(1) .3165(3) .119(6) H17F 1 1.0424(3) .420(1) .3717(3) .119(6) _cod_database_code 2005266