Information card for entry 2009315

Structure parameters

• Chemical name: 6-Amino-5-N-acetyl-N-(β-D-3,4,6-tri-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methylpyrimidine, water solvent
• Formula: C19 H28 N4 O12
• Calculated formula: C19 H28 N4 O12
• Title of publication: Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones
• Authors of publication: Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: IUC9900164
• a: 14.3951 ± 0.0011 Å
• b: 8.9771 ± 0.0009 Å
• c: 19.052 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2462 ± 0.4 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.088
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes