#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000365.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_2000365 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 2172 _journal_page_last 2174 loop_ _publ_author_name 'Giordano, F.' _chemical_formula_sum 'C17 H15 N1 O4' _chemical_formula_weight 297.3 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/c' _symmetry_space_group_name_Hall ? _cell_length_a 26.157(5) _cell_length_b 5.9790(10) _cell_length_c 19.492(3) _cell_angle_alpha 90. _cell_angle_beta 97.790(10) _cell_angle_gamma 90. _cell_volume 3020.0(10) _cell_formula_units_Z 8 _exptl_crystal_density_diffrn 1.31 _exptl_crystal_density_meas ? _exptl_crystal_F_000 1248 _exptl_absorpt_coefficient_mu 0.736 _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(1) .04280(10) .5042(4) .32700(10) O(2) .08140(10) .3919(4) .29130(10) O(3) .14940(10) -.0258(6) .39970(10) O(4) .16510(10) .3377(6) .3891(2) N .04640(10) .1494(5) .3655(2) C(1) .02410(10) .3394(5) .3641(2) C(2) .08910(10) .1750(6) .3248(2) C(3) -.01900(10) .4042(5) .4002(2) C(4) -.03420(10) .2537(6) .4480(2) C(5) -.0747(2) .3125(7) .4840(2) C(6) -.0996(2) .5149(7) .4724(2) C(7) -.0845(2) .6586(7) .4243(2) C(8) -.0440(2) .6058(6) .3881(2) C(9) .08840(10) -.0040(6) .2690(2) C(10) .13540(10) -.0028(5) .2310(2) C(11) .14420(10) .1740(6) .1883(2) C(12) .1866(2) .1682(7) .1522(2) C(13) .2194(2) -.0123(7) .1581(2) C(14) .2110(2) -.1882(7) .2009(2) C(15) .1687(2) -.1842(6) .2373(2) C(16) .13900(10) .1794(7) .3743(2) C(17) .1958(2) -.0571(9) .4464(3) H(1) -.016 .116 .457 H(2) -.086 .210 .517 H(3) -.128 .551 .497 H(4) -.102 .801 .416 H(5) -.033 .710 .356 H(6) .058 .016 .237 H(7) .087 -.147 .291 H(8) .121 .297 .183 H(9) .193 .288 .123 H(10) .249 -.017 .134 H(11) .234 -.313 .206 H(12) .163 -.306 .269 H(13) .201 -.200 .464 H(14) .226 -.008 .426 H(15) .196 .046 .488