#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005326.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_2005326
_journal_name_full 'Acta Crystallographica Section C'
_journal_year       1996
_journal_volume 52
_journal_page_first  2332
_journal_page_last  2334
_publ_section_title
;
4-Amino-1-(2-deoxy-\b-D-ribofuranosyl)-6,7-dihydro-1H,5H-
cyclopentapyrimidine-2-one
;
_chemical_formula_moiety  'C12 H17 N3 O4'
_chemical_formula_sum  'C12 H17 N3 O4'
_chemical_formula_weight  267.29
_symmetry_cell_setting  orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 'x+1/2, -y+1/2, -z'
 '-x, y+1/2, -z+1/2'
_symmetry_space_group_name_H-M  'P 21 21 21'
_cell_length_a  9.543(4)
_cell_length_b  10.2790(10)
_cell_length_c  12.231(5)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1199.8(7)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.480
_cell_measurement_temperature  293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 N1 1 -0.0878(2) 0.8283(3) -0.0201(2) 0.0177(6)
 C2 1 -0.0158(3) 0.8987(3) 0.0608(2) 0.0183(8)
 O2 1 0.0318(2) 0.8405(2) 0.1410(2) 0.0232(5)
 N3 1 -0.0031(3) 1.0298(3) 0.0495(2) 0.0179(6)
 C4 1 -0.0611(3) 1.0916(3) -0.0364(3) 0.0171(7)
 N4 1 -0.0627(3) 1.2209(3) -0.0380(2) 0.0273(7)
 H4A 1 -0.0271(3) 1.2641(3) 0.0153(2) 0.033
 H4B 1 -0.0995(3) 1.2613(3) -0.0925(2) 0.033
 C5 1 -0.1159(3) 1.0206(3) -0.1265(2) 0.0172(7)
 C6 1 -0.1295(3) 0.8901(3) -0.1147(2) 0.0163(7)
 C7 1 -0.1862(3) 0.8253(3) -0.2145(3) 0.0209(8)
 H7A 1 -0.2761(3) 0.7848(3) -0.1996(3) 0.025
 H7B 1 -0.1218(3) 0.7598(3) -0.2416(3) 0.025
 C8 1 -0.2018(4) 0.9385(3) -0.2969(3) 0.0291(9)
 H8A 1 -0.1403(4) 0.9249(3) -0.3590(3) 0.035
 H8B 1 -0.2975(4) 0.9429(3) -0.3234(3) 0.035
 C9 1 -0.1633(3) 1.0651(3) -0.2384(3) 0.0230(8)
 H9A 1 -0.0885(3) 1.1101(3) -0.2765(3) 0.028
 H9B 1 -0.2438(3) 1.1224(3) -0.2330(3) 0.028
 C1' 1 -0.1263(4) 0.6926(3) -0.0010(3) 0.0212(8)
 H1' 1 -0.1733(4) 0.6604(3) -0.0669(3) 0.025
 C2' 1 -0.0065(4) 0.5982(3) 0.0265(3) 0.0218(8)
 H2'1 1 0.0014(4) 0.5308(3) -0.0286(3) 0.026
 H2'2 1 0.0821(4) 0.6440(3) 0.0317(3) 0.026
 C3' 1 -0.0480(3) 0.5404(3) 0.1370(3) 0.0199(7)
 H3' 1 -0.0039(3) 0.5893(3) 0.1966(3) 0.024
 O3' 1 -0.0104(2) 0.4071(2) 0.1433(2) 0.0277(6)
 H3'1 1 -0.0334(2) 0.3779(2) 0.2030(2) 0.042
 O4' 1 -0.2240(2) 0.6866(2) 0.0869(2) 0.0221(6)
 C4' 1 -0.2062(3) 0.5622(3) 0.1375(3) 0.0204(7)
 H4' 1 -0.2495(3) 0.4963(3) 0.0905(3) 0.024
 C5' 1 -0.2788(3) 0.5585(3) 0.2481(3) 0.0235(8)
 H5'1 1 -0.3767(3) 0.5805(3) 0.2375(3) 0.028
 H5'2 1 -0.2751(3) 0.4700(3) 0.2755(3) 0.028
 O5' 1 -0.2226(2) 0.6426(2) 0.3296(2) 0.0268(6)
 H5' 1 -0.1444(2) 0.6171(2) 0.3473(2) 0.040