Information card for entry 2011358

Structure parameters

• Chemical name: N-(6-amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)- N-[β-D-glucopyranosyl]acetamide
• Formula: C13 H24 N4 O10
• Calculated formula: C13 H24 N4 O10
• SMILES: N1C(=O)N(C)C(=O)C(N(C(=O)C)[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)CO)=C1N.O.O
• Title of publication: <i>N</i>-(6-Amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-<i>N</i>-(β-<small>D</small>-glucopyranosyl)acetamide
• Authors of publication: Low, John Nicolson; Molina, Sebastián; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e420 - e420
• a: 7.0911 ± 0.0001 Å
• b: 12.2566 ± 0.0002 Å
• c: 20.5272 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1784.08 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.045
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes