Information card for entry 2005123

Structure parameters

• Chemical name: 1-(2-deoxy-α-D-erythropentopyranosyl) 1-(R),2-(R)-4,4- dimethylpyrazolidine-3,5-dione
• Formula: C10 H16 N2 O5
• Calculated formula: C10 H16 N2 O5
• SMILES: O[C@H]1C[C@H](OC[C@H]1O)N1NC(=O)C(C1=O)(C)C
• Title of publication: (1<i>R</i>,2<i>R</i>)-4,4-Dimethylpyrazolidine-3,5-dione-α-<small>D</small>-pyranosyl-2-deoxyriboside
• Authors of publication: Kolb, V. M.; Colloton, P. A.; Robinson, P. D.; Lutfi, H. G.; Meyers, C. Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1781 - 1784
• a: 9.802 ± 0.007 Å
• b: 21.172 ± 0.005 Å
• c: 5.504 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1142.2 ± 1.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.35
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No