#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000691.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_2000691
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1479
_journal_page_last  1484
loop_
_publ_author_name
 'Agmon, I.'
 'Ashkenazi, P.'
 'Kaftory, M.'
_chemical_formula_sum  'C18 H15 N3 O4'
_chemical_formula_weight  373.33
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_cell_length_a  24.104(12)
_cell_length_b  9.774(5)
_cell_length_c  6.463(3)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  1522.63
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.471
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  704
_exptl_absorpt_coefficient_mu  0.065
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O(1) .6340(3) .3439(9) .8254(15) .051(2)
 O(2) .7525(4) .0049(11) .6123(13) .050(2)
 O(3) .4892(5) -.1952(11) .4830(17) .078(3)
 O(4) .5448(5) -.1868(11) .8843(16) .080(4)
 N(1) .6206(4) .1182(9) .7381(15) .038(2)
 N(2) .7071(4) .1955(8) .7509(13) .030(2)
 N(3) .6579(4) .0133(10) .6688(14) .037(3)
 C(1) .5698(5) .1293(12) .6042(19) .041(3)
 C(2) .5900(5) .1410(14) .382(2)   .047(3)
 C(3) .6235(5) .0434(14) .3199(19) .048(4)
 C(4) .6361(5) -.0655(12) .4882(18) .039(3)
 C(5) .5826(5) -.1273(11) .5612(18) .038(3)
 C(6) .5408(5) -.0084(11) .6332(18) .035(3)
 C(7) .6528(5) .2350(11) .7708(18) .032(3)
 C(8) .7114(5) .0656(11) .6637(16) .028(3)
 C(9) .7532(5) .2821(12) .792(2)   .047(4)
 C(10) .7572(5) .3407(12) .988(2)   .044(3)
 C(11) .8029(6) .4232(14) 1.027(2)   .055(4)
 C(12) .8416(6) .4527(12) .879(3)   .063(5)
 C(13) .8358(7) .3936(16) .679(3)   .067(4)
 C(14) .7923(5) .3073(14) .638(2)   .055(3)
 C(15) .5397(6) -.1657(17) .391(2)   .062(5)
 C(16) .5009(6) -.0547(17) .456(3)   .061(4)
 C(17) .5860(6) -.2230(16) .744(2)   .062(4)
 C(18) .5276(7) -.0514(16) .850(2)   .068(5)
 H(1) .5431(5) .2148(12) .6409(19) ?
 H(2) .5774(5) .2236(14) .281(2)   ?
 H(3) .6409(5) .0393(14) .1661(19) ?
 H(4) .6638(5) -.1431(12) .4296(18) ?
 H(10) .7261(5) .3224(12) 1.104(2)   ?
 H(11) .8078(6) .4657(14) 1.181(2)   ?
 H(12) .8762(6) .5194(12) .913(3)   ?
 H(13) .8656(7) .4168(16) .559(3)   ?
 H(14) .7884(5) .2596(14) .488(2)   ?
 H(15) .5605(6) -.2122(17) .261(2)   ?
 H(16) .4757(6) .0298(17) .403(3)   ?
 H(171) .5682(6) -.3237(16) .726(2)   ?
 H(172) .6255(6) -.2312(16) .822(2)   ?
 H(181) .5426(7) .0144(16) .972(2)   ?
 H(182) .4851(7) -.0798(16) .881(2)   ?