#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000281.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_2000281 _journal_name_full 'Acta Cryst. C' _journal_year 1991 _journal_volume 47 _journal_page_first 1445 _journal_page_last 1448 loop_ _publ_author_name 'Who am i?' _chemical_formula_sum 'C10 H15 N3 O5' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P21' _symmetry_space_group_name_hall ? _cell_length_a 5.6320(10) _cell_length_b 14.636(3) _cell_length_c 13.914(3) _cell_angle_alpha 90 _cell_angle_beta 90.570(10) _cell_angle_gamma 90 _cell_volume 1146.9 _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.49 _exptl_crystal_F_000 544 _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 _atom_site_U_iso_or_equiv N(1A) .9506(3) .23720(10) .08900(10) .0300(10) C(2A) .7739(4) .2302(2) .0199(2) .0310(10) N(3A) .6612(4) .1484(2) .00670(10) .0350(10) C(4A) .7310(4) .0764(2) .0566(2) .0310(10) C(5A) .9316(5) .0778(2) .1214(2) .0320(10) C(6A) 1.0310(4) .1603(2) .1354(2) .0320(10) O(2A) .7237(3) .2996000 -.02840(10) .0410(10) N(4A) .6044(4) -.0012(2) .0453(2) .0440(10) C(7A) 1.0272(6) -.0079(2) .1669(2) .0450(10) O(4A') 1.2651(3) .31870(10) .16070(10) .0320(10) C(1A') 1.0628(4) .3283(2) .1003(2) .0280(10) C(2A') .8938(4) .3976(2) .1476(2) .0290(10) C(3A') .9768(4) .3927(2) .25260(10) .0260(10) C(4A') 1.2420(4) .3753(2) .24480(10) .0270(10) C(5A') 1.3507(4) .3288(2) .3319(2) .0390(10) O(5A') 1.2210(3) .25230(10) .36300(10) .0470(10) O(2A') .9228(4) .48510(10) .10630(10) .0420(10) O(3A') .9246(3) .47370(10) .30420(10) .0350(10) N(1B) .5961(3) .33070(10) .58270(10) .0270(10) C(2B) .7656(4) .3436(2) .51220(10) .0270(10) N(3B) .8446(3) .42990(10) .49500(10) .0310(10) C(4B) .7601(4) .5001(2) .5449(2) .0290(10) C(5B) .5659(4) .4904(2) .6106(2) .0300(10) C(6B) .4967(4) .4042(2) .6276(2) .0300(10) O(2B) .8382(3) .27590(10) .46740(10) .0360(10) N(4B) .8578(4) .5819(2) .5305(2) .0370(10) C(7B) .4508(5) .5714(2) .6579(2) .0450(10) O(4B') .3174(2) .23680(10) .65920(10) .0310(10) C(1B') .5194(4) .2351(2) .6000(2) .0250(10) C(2B') .7141(4) .1799(2) .6510(2) .0270(10) C(3B') .6338(4) .1845(2) .75530(10) .0250(10) C(4B') .3638(4) .1874(2) .7477(2) .0270(10) C(5B') .2431(5) .2347(2) .8306(2) .0360(10) O(5B') .3499(3) .31930(10) .85660(10) .0430(10) O(2B') .7074(3) .08950(10) .61390(10) .0390(10) O(3B') .7215(3) .10990(10) .80970(10) .0370(10)