#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005123.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_2005123
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first    	1781
_journal_page_last    	1784
_publ_section_title
;
(1R,2R)-4,4-Dimethylpyrazolidine-3,5-dione-\a-D-pyranosyl-2-deoxyriboside
;
_chemical_formula_sum    	'C10 H16 N2 O5'
_chemical_formula_weight    	244.25
_symmetry_cell_setting    	orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,-z
-x,1/2+y,1/2-z
1/2-x,-y,1/2+z
_symmetry_space_group_name_H-M    	'P 21 21 21'
_cell_length_a    	9.802(7)
_cell_length_b    	21.172(5)
_cell_length_c    	5.504(5)
_cell_angle_alpha    	90.0
_cell_angle_beta    	90.0
_cell_angle_gamma    	90.0
_cell_volume    	1142(2)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.420
_cell_measurement_temperature    	296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O6 0.2683(2) -0.14304(12) -0.0420(5) 0.0374(9)
O7 0.6807(3) -0.18058(13) 0.3757(5) 0.0516(10)
O6' 0.4188(2) 0.00173(11) 0.0606(4) 0.0311(8)
O7' 0.6365(2) 0.08004(11) -0.5190(4) 0.0366(9)
O8' 0.6016(3) 0.10399(11) -0.0084(4) 0.0408(9)
N1 0.4834(3) -0.10046(14) -0.0405(6) 0.0320(10)
N2 0.5997(3) -0.10746(14) 0.1118(6) 0.0350(11)
C3 0.5913(4) -0.16052(17) 0.2413(6) 0.0337(12)
C4 0.4544(4) -0.19169(15) 0.1905(6) 0.0288(11)
C5 0.3865(4) -0.14408(15) 0.0249(6) 0.0275(11)
C6 0.3712(5) -0.2029(2) 0.4182(7) 0.0573(17)
C7 0.4807(5) -0.2535(2) 0.0540(9) 0.0603(16)
C1' 0.4518(4) -0.03924(16) -0.1377(6) 0.0300(12)
C2' 0.5656(4) -0.01262(17) -0.2931(6) 0.0323(12)
C3' 0.5265(4) 0.05274(17) -0.3834(6) 0.0286(11)
C4' 0.4892(4) 0.09436(17) -0.1693(6) 0.0320(11)
C5' 0.3774(4) 0.06259(16) -0.0263(6) 0.0347(12)
H2 0.678(4) -0.0945(17) 0.045(7) 0.0419
H1' 0.3730 -0.0433 -0.2369 0.0356
H2'a 0.5807 -0.0397 -0.4281 0.0386
H2'b 0.6467 -0.0098 -0.1992 0.0386
H3' 0.4493 0.0490 -0.4867 0.0342
H4' 0.4577 0.1340 -0.2271 0.0383
H5'a 0.3544 0.0884 0.1088 0.0416
H5'b 0.2998 0.0577 -0.1278 0.0416
H6a 0.4148 -0.2340 0.5155 0.0685
H6b 0.3640 -0.1646 0.5072 0.0685
H6c 0.2826 -0.2171 0.3746 0.0685
H7a 0.3961 -0.2715 0.0060 0.0719
H7b 0.5345 -0.2451 -0.0860 0.0719
H7c 0.5277 -0.2821 0.1571 0.0719
H7' 0.6027 0.0819 -0.6873 0.0438
H8' 0.6744 0.1332 -0.1017 0.0491
_cod_database_code 2005123