#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2000782.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_2000782 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1309 _journal_page_last 1310 loop_ _publ_author_name 'Belanger-Gariepy, F.' 'Leger, R.' 'Hanessian, S.' _chemical_formula_sum 'C18 H32 O4 Sn1' _chemical_formula_weight 431.14 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' _cell_length_a 7.674(2) _cell_length_b 11.113(3) _cell_length_c 13.346(4) _cell_angle_alpha 71.64(2) _cell_angle_beta 79.49(2) _cell_angle_gamma 86.62(2) _cell_volume 1062.1(5) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.348 _exptl_crystal_density_meas ? _exptl_crystal_F_000 444 _exptl_absorpt_coefficient_mu 1.22 _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 _atom_site_U_iso_or_equiv Sn .28289(8) 1.25178(4) .11247(4) .075 O(1) .1279(6) .7673(5) .4702(4) .082 O(2) .3397(6) .6215(4) .4611(4) .076 O(3) .6628(5) .7854(5) .2555(4) .084 O(4) .5600(5) .8671(5) .3851(4) .078 C(1') .2352(9) 1.0817(6) .0800(5) .066 C(1) .3464(7) .8003(5) .3104(4) .046 C(2) .2648(7) .9312(5) .2654(5) .049 C(3) .3259(8) .9646(6) .1452(5) .052 C(4) .1237(10) .8165(8) .1004(7) .085 C(5) .0947(11) .6774(8) .1518(8) .099 C(6) .1562(11) .6518(7) .2565(7) .088 C(7) .3233(8) .7330(6) .2286(5) .058 C(8) .3044(8) .8395(6) .1236(5) .058 C(9) .2577(8) .7320(6) .4224(5) .058 C(10) .2693(12) .5441(8) .5700(6) .099 C(11) .3533(16) .5786(10) .6453(7) .131 C(12) .5417(8) .8149(6) .3118(5) .058 C(131) .7502(13) .8955(12) .3833(10) .072 C(132) .722(3) .860(3) .428(2) .112 C(141) .7398(18) .9398(18) .4795(14) .116 C(142) .763(3) .991(3) .418(3) .135 C(15) .3022(13) 1.4094(8) -.0308(7) .101 C(16) .5260(13) 1.2356(9) .1694(8) .110 C(17) .0760(18) 1.2840(11) .2281(10) .147 H(1'A) .1110 1.0670 .0957 ? H(1'B) .2772 1.0934 .0061 ? H(2A) .1391 .9276 .2828 ? H(2B) .3072 .9913 .2925 ? H(3) .4492 .9822 .1312 ? H(4A) .1254 .8394 .0254 ? H(4B) .0339 .8633 .1311 ? H(5B) .1629 .6308 .1096 ? H(6A) .0687 .6767 .3065 ? H(6B) .1832 .5645 .2853 ? H(7) .4253 .6832 .2167 ? H(8) .3951 .8316 .0672 ? H(10A) .2919 .4572 .5766 ? H(10B) .1451 .5576 .5847 ? H(11A) .3165 .6613 .6466 ? H(11B) .3206 .5198 .7148 ? H(11C) .4784 .5774 .6244 ? H(131A) .8216 .8216 .3897 ? H(131B) .7963 .9600 .3194 ? H(132A) .7046 .8091 .5006 ? H(132B) .8147 .8259 .3873 ? H(141A) .8551 .9604 .4854 ? H(141B) .6661 1.0128 .4720 ? H(141C) .6914 .8744 .5423 ? H(142A) .7358 1.0027 .4868 ? H(142B) .8855 1.0066 .3905 ? H(142C) .6948 1.0480 .3711 ? H(15A) .3348 1.3803 -.0914 ? H(15B) .1909 1.4515 -.0339 ? H(15C) .3893 1.4668 -.0311 ? H(16A) .5349 1.3020 .1989 ? H(16B) .5308 1.1562 .2231 ? H(16C) .6217 1.2415 .1118 ? H(17A) .1077 1.3511 .2512 ? H(17B) -.0287 1.3064 .1979 ? H(17C) .0553 1.2092 .2878 ?