data_2000712
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1528
_journal_page_last  1530
loop_
_publ_author_name
 'Gilardi, r.'
 'George, C.'
 'Flippen-Anderson, J.L.'
_chemical_formula_moiety  'C10 H16 N4 O5'
_chemical_formula_sum  'C10 H16 N4 O5'
_chemical_formula_weight  272.3
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  ?
_cell_length_a  6.151(2)
_cell_length_b  13.484(7)
_cell_length_c  15.165(9)
_cell_angle_alpha  90.
_cell_angle_beta  90.94(5)
_cell_angle_gamma  90.
_cell_volume  1257.6(9)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.438
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  576
_exptl_absorpt_coefficient_mu  0.11
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C(1) .1985(5) .3068(2) .0367(2) .0400(10)
 N(2) .1069(4) .2077(2) .0320(2) .0410(10)
 C(3) .1882(6) .1498(3) -.0416(3) .0490(10)
 N(4) .3824(4) .2052(2) -.0646(2) .0410(10)
 C(5) .3801(5) .3056(2) -.0319(2) .0370(10)
 N(6) .3017(3) .3763(2) -.0990(2) .0370(10)
 C(7) .0708(5) .3923(3) -.0834(3) .0420(10)
 O(8) .0512(3) .38250(10)
         .0096(2) .0440(10)
 C(9) -.0662(5) .1735(2) .0785(2) .0470(10)
 O(9) -.1495(4) .0949(2) .0586(2) .0670(10)
 C(10) -.1421(7) .2371(3) .1535(3) .057(2)
 C(11) -.3535(8) .2033(4) .1911(4) .065(2)
 C(12) .5458(5) .1727(2) -.1169(2) .0400(10)
 O(12) .6949(4) .2278(2) -.1363(2) .0580(10)
 C(13) .5287(7) .0670(3) -.1490(3) .054(2)
 C(14) .7140(9) .0350(4) -.2045(5) .076(2)
 N(15) .4243(4) .4633(2) -.1095(2) .0450(10)
 O(15A) .6130(4) .4634(2) -.0830(2) .0590(10)
 O(15B) .3356(4) .5306(2) -.1500(2) .0660(10)
 H(1) .244(4)   .3212(18) .0987(18) ?
 H(3A) .223(5)   .085(3)   -.021(2)   ?
 H(3B) .075(7)   .148(3)   -.095(3)   ?
 H(5) .515(4)   .3263(17) -.0105(16) ?
 H(7A) -.013(5)   .337(2)   -.1146(18) ?
 H(7B) .028(5)   .459(2)   -.104(2)   ?
 H(10A) -.016(6)   .236(3)   .201(3)   ?
 H(10B) -.154(5)   .304(3)   .135(2)   ?
 H(11A) -.330(6)   .134(3)   .219(3)   ?
 H(11B) -.463(7)   .194(3)   .144(3)   ?
 H(11C) -.402(7)   .246(3)   .235(3)   ?
 H(13A) .516(6)   .030(3)   -.100(3)   ?
 H(13B) .404(6)   .064(3)   -.182(3)   ?
 H(14A) .701(5)   -.034(3)   -.225(2)   ?
 H(14B) .830(9)   .031(4)   -.169(4)   ?
 H(14C) .752(10)   .080(4)   -.248(4)   ?