Information card for entry 2008515

Structure parameters

• Chemical name: 5,5,6-Triacetyl-5,6-diaminopyrimidine-2,4-(1H,3H)-dione
• Formula: C10 H12 N4 O5
• Calculated formula: C10 H12 N4 O5
• Title of publication: 6-Acetylamino-5-(diacetylamino)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione
• Authors of publication: Low, John Nicolson; Ferguson, George; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 749 - 751
• a: 22.2132 ± 0.0015 Å
• b: 12.9986 ± 0.0013 Å
• c: 8.5456 ± 0.0005 Å
• α: 90°
• β: 96.107 ± 0.005°
• γ: 90°
• Cell volume: 2453.5 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes