Information card for entry 2004880

Structure parameters

• Chemical name: 1-(2-deoxy-α-D-erythro-pentopyranosyl) 1-(R),2-(R),4-triazolidine-3,5-dione
• Formula: C7 H11 N3 O5
• Calculated formula: C7 H11 N3 O5
• Title of publication: First Example of a Crystalline Urazole Nucleoside: (1<i>R</i>,2<i>R</i>)-Urazole-α-<small>D</small>-pyranosyl-2-deoxyriboside
• Authors of publication: Robinson, P. D.; Meyers, C. Y.; Kolb, V. M.; Colloton, P. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1215 - 1218
• a: 8.539 ± 0.002 Å
• b: 5.229 ± 0.006 Å
• c: 10.268 ± 0.003 Å
• α: 90°
• β: 97.2 ± 0.02°
• γ: 90°
• Cell volume: 454.9 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.027
• Weighted residual factors for significantly intense reflections: 0.029
• Goodness-of-fit parameter for significantly intense reflections: 1.23
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No