#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000828.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_2000828 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1057 _journal_page_last 1060 loop_ _publ_author_name 'Kaneko, F.' 'Kobayashi, M.' 'Kitagawa, Y.' 'Matsuura, Y.' 'Sato, K.' 'Suzuki, M.' _chemical_formula_sum 'C18 H34 O2' _chemical_formula_weight 282.47 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' _cell_length_a 5.3590(10) _cell_length_b 8.874(2) _cell_length_c 41.391(5) _cell_angle_alpha 90.490(10) _cell_angle_beta 89.12(2) _cell_angle_gamma 113.81(2) _cell_volume 1800.7(6) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.04 _exptl_crystal_density_meas ? _exptl_crystal_F_000 632 _exptl_absorpt_coefficient_mu 0.47 _diffrn_radiation_type Cu _diffrn_radiation_wavelength 1.5418 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z O(1A) .2100(5) .0078(3) .03036(5) O(2A) -.0028(5) .1729(3) .02204(5) C(1A) .1672(6) .1282(4) .03764(7) C(2A) .2993(6) .2405(4) .06566(7) C(3A) .4580(7) .1818(4) .08803(7) C(4A) .6228(6) .3164(4) .11182(7) C(5A) .7433(7) .2567(4) .13934(7) C(6A) .9403(6) .3944(4) .15900(7) C(7A) .8877(6) .4634(4) .18490(7) C(8A) .6192(7) .4211(4) .20156(7) C(9A) .6279(6) .3979(4) .23782(7) C(10A) .3538(7) .3565(4) .25467(7) C(11A) .3567(7) .3303(4) .29081(7) C(12A) .0840(7) .2890(5) .30754(8) C(13A) .0830(7) .2590(5) .34375(8) C(14A) -.1864(7) .2200(5) .36045(8) C(15A) -.1877(7) .1891(5) .39625(8) C(16A) -.4557(7) .1508(5) .41340(8) C(17A) -.4540(8) .1187(5) .44925(8) C(18A) -.7240(9) .0811(6) .46634(9) O(1B) .0503(5) .5566(3) .03958(5) O(2B) .3421(5) .6313(3) -.00135(5) C(1B) .2807(7) .6323(4) .02904(7) C(2B) .5156(6) .7357(4) .04958(8) C(3B) .4642(6) .7113(4) .08529(7) C(4B) .7147(6) .8084(4) .10512(7) C(5B) .6758(6) .7759(4) .14076(7) C(6B) .9187(6) .8760(4) .16055(7) C(7B) .9207(6) .9517(4) .18795(7) C(8B) .6798(7) .9542(5) .20627(7) C(9B) .6475(7) .8817(4) .23995(7) C(10B) .3965(7) .8776(4) .25801(7) C(11B) .3698(7) .8125(5) .29233(8) C(12B) .1159(7) .8027(5) .30994(8) C(13B) .0908(7) .7434(5) .34447(8) C(14B) -.1628(7) .7309(5) .36222(8) C(15B) -.1830(7) .6766(5) .39698(8) C(16B) -.4385(7) .6599(5) .41499(8) C(17B) -.4530(8) .6065(5) .44964(8) C(18B) -.7115(8) .5865(6) .46729(9) H(1A) .143(7) .260(4) .0772(8) H(2A) .404(7) .347(4) .0570(8) H(3A) .588(7) .147(4) .0742(8) H(4A) .335(7) .080(5) .1016(9) H(5A) .759(7) .402(4) .1021(8) H(6A) .504(7) .372(4) .1210(8) H(7A) .581(7) .186(4) .1547(8) H(8A) .825(8) .195(5) .1282(10) H(9A) 1.127(6) .440(4) .1513(7) H(10A) 1.036(6) .553(4) .1949(7) H(11A) .570(7) .524(4) .1989(8) H(12A) .494(7) .325(4) .1920(8) H(13A) .701(7) .311(4) .2424(8) H(14A) .780(7) .505(4) .2479(8) H(15A) .298(7) .458(4) .2508(8) H(16A) .215(7) .254(5) .2439(8) H(17A) .425(7) .239(5) .2943(8) H(18A) .507(7) .426(5) .3002(8) H(19A) .036(7) .390(5) .3032(8) H(20A) -.059(8) .192(5) .2970(9) H(21A) .146(7) .164(5) .3456(8) H(22A) .212(7) .357(5) .3498(8) H(23A) -.252(7) .307(5) .3548(9) H(24A) -.325(8) .122(5) .3488(9) H(25A) -.118(7) .107(5) .4000(8) H(26A) -.048(8) .284(5) .4055(9) H(27A) -.515(7) .242(5) .4101(8) H(28A) -.609(8) .055(5) .4029(9) H(29A) -.404(8) .020(5) .4523(10) H(30A) -.305(7) .211(5) .4591(8) H(31A) -.707(7) .077(5) .4893(9) H(32A) -.876(9) -.019(6) .4582(11) H(33A) -.767(10) .176(6) .4681(11) H(34A) -.068(8) .098(5) .0010(9) H(1B) .688(7) .713(4) .0422(8) H(2B) .569(7) .849(4) .0416(8) H(3B) .314(7) .745(5) .0907(8) H(4B) .391(7) .604(4) .0920(8) H(5B) .879(6) .779(4) .0991(7) H(6B) .763(7) .923(4) .1026(8) H(7B) .507(6) .796(4) .1497(7) H(8B) .619(8) .659(5) .1461(10) H(9B) 1.097(6) .884(4) .1538(7) H(10B) 1.098(6) 1.016(4) .1996(7) H(11B) .686(8) 1.062(5) .2075(9) H(12B) .523(7) .891(4) .1947(8) H(13B) .655(8) .760(5) .240(10) H(14B) .824(6) .948(4) .2522(8) H(15B) .412(8) 1.002(5) .2580(10) H(16B) .236(6) .810(4) .2470(8) H(17B) .385(8) .701(5) .2905(9) H(18B) .539(8) .892(5) .3034(9) H(19B) .086(8) .901(5) .3084(9) H(20B) -.043(8) .730(5) .2968(9) H(21B) .130(9) .636(6) .3458(10) H(22B) .241(8) .818(5) .3544(9) H(23B) -.181(8) .839(5) .3571(10) H(24B) -.331(9) .650(6) .3515(10) H(25B) -.164(8) .568(5) .3995(9) H(26B) -.029(8) .753(5) .4085(9) H(27B) -.461(8) .765(5) .4134(9) H(28B) -.597(9) .572(6) .4042(10) H(29B) -.416(8) .507(6) .4527(10) H(30B) -.304(9) .700(6) .4619(10) H(31B) -.708(8) .557(5) .4910(10) H(32B) -.881(8) .505(6) .4572(10) H(33B) -.746(9) .684(6) .4688(10) H(34B) .157(9) .553(6) -.0176(10)