#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000397.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_2000397 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 2240 _journal_page_last 2244 loop_ _publ_author_name 'Macias, F.A.' 'Zubia, E.' 'Quijano, L.' 'Fronczek, F.R.' 'Fischer, N.H.' _chemical_formula_sum 'C24 H30 O8' _chemical_formula_weight 446.5 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P 21 21 21' _symmetry_space_group_name_Hall ? _cell_length_a 5.5333(5) _cell_length_b 12.5520(7) _cell_length_c 31.723(2) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 2203.2(2) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.346 _exptl_crystal_density_meas ? _exptl_crystal_F_000 952 _exptl_absorpt_coefficient_mu 0.80 _diffrn_radiation_type Cu _diffrn_radiation_wavelength 1.54184 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z O3 .6922(2) -.12277(7) .70498(2) O7 .21020(10) -.05107(8) .78727(2) O15 .9366(2) .22988(7) .61519(3) O17 .6514(2) .19228(7) .54991(2) O19 .3083(2) .04134(8) .55249(2) O27 .1911(2) .03801(8) .95149(3) O29 .5226(2) .19364(7) .95282(3) O31 .8085(2) .23066(7) .88704(3) C1 .5083(2) .01830(8) .74213(3) C2 .5068(2) -.04352(9) .70018(3) C4 .6648(3) -.15950(10) .74723(3) C5 .6239(2) -.06020(9) .77385(3) C6 .4354(2) -.07174(8) .80860(3) C8 .2568(2) .03830(10) .76052(4) C9 .5495(2) .01856(9) .66023(3) C10 .7323(2) .09535(9) .65790(3) C11 .7641(2) .15346(9) .62095(3) C12 .6134(2) .13562(9) .58629(3) C13 .4363(2) .05640(10) .58838(3) C14 .4035(2) -.00068(9) .62556(3) C16 1.0954(2) .25200(10) .64917(4) C18 .4661(3) .26810(10) .54067(4) C20 .1207(3) -.03710(10) .55252(4) C21 .4649(2) .00088(8) .84648(3) C22 .3124(2) -.01565(9) .88093(3) C23 .3278(2) .04940(10) .91609(3) C24 .4963(2) .13267(9) .91731(3) C25 .6486(2) .14899(9) .88290(3) C26 .6326(2) .08324(9) .84769(3) C28 .0034(3) -.04000(10) .95100(4) C30 .3435(3) .27450(10) .95758(5) C32 .9787(3) .24680(10) .85400(4)