#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000269.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_2000269 _journal_name_full 'Acta Cryst. C' _journal_year 1991 _journal_volume 47 _journal_page_first 1680 _journal_page_last 1683 _chemical_formula_sum 'C14 H20 N2 O6' _symmetry_cell_setting monoclinic _symmetry_space_group_name_h-m P21/c _symmetry_space_group_name_hall ? _cell_length_a 11.3480(10) _cell_length_b 4.8540(10) _cell_length_c 14.6290(10) _cell_angle_alpha 90 _cell_angle_beta 99.870(10) _cell_angle_gamma 90 _cell_volume 793.9 _cell_formula_units_z 2 _exptl_crystal_density_diffrn 1.306 _exptl_crystal_density_meas ? _exptl_crystal_F_000 332 _diffrn_radiation_type Cu _diffrn_radiation_wavelength 1.54178 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z N(1) .0425(3) .1488(6) .1184(2) C(1) -.0341(3) .0427(8) .0372(2) C(2) .1009(3) -.0184(7) .1844(2) O(2) .0935(2) -.2699(5) .1786(2) C(3) .1751(3) .1276(7) .2629(2) C(4) .2343(3) .0020(7) .3365(2) C(5) .3021(3) .1658(8) .4128(2) O(5) .3365(3) .3962(5) .4056(2) O(6) .3209(2) .0242(6) .4919(2) C(7) .3838(4) .1712(9) .5736(3) C(8) .4013(4) -.0277(11) .6523(3) H(1) .048(3) .307(6) .128(2) H(11) -.094(3) .176(7) .014(2) H(12) -.079(3) -.113(7) .052(2) H(3) .173(2) .308(6) .259(2) H(4) .228(3) -.184(6) .344(2) H(71) .336(3) .329(8) .585(3) H(72) .457(3) .241(6) .555(2) H(81) .442(4) .080(9) .710(3) H(82) .450(4) -.171(9) .640(3) H(83) .315(4) -.111(11) .662(3)