Information card for entry 2005236

Structure parameters

• Formula: C18 H22 N4 O8
• Calculated formula: C18 H22 N4 O8
• Title of publication: 1-(4-Amino-6-methyl[1,3]oxazolo[5,4-<i>d</i>]pyrimidin-2-yl)-1-deoxy-<small>D</small>-ribose 5-Benzoate Dihydrate
• Authors of publication: Freeman, F.; Scheuerman, R. A.; Ziller, J. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2006 - 2008
• a: 7.1551 ± 0.0007 Å
• b: 13.528 ± 0.001 Å
• c: 9.9826 ± 0.0009 Å
• α: 90°
• β: 90.748 ± 0.008°
• γ: 90°
• Cell volume: 966.18 ± 0.15 ų
• Cell temperature: 183 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for significantly intense reflections: 1.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No