Information card for entry 8101195

Structure parameters

• Formula: C7 H9 N3 O4
• Calculated formula: C7 H9 N3 O4
• Title of publication: Crystal structure of 1,5-diacetyl-2,4-dioxohexahydro-1,3,5-triazine, C~7~H~9~N~3~O~4~
• Authors of publication: Klepp, Kurt O.; Schmidt, Harald
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 149 - 150
• a: 9.892 ± 0.007 Å
• b: 17.98 ± 0.01 Å
• c: 4.952 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 881 ± 2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P n a 21
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.063
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No