Information card for entry 8101215

Structure parameters

• Formula: C9 H11 N3 O5
• Calculated formula: C9 H11 N3 O5
• Title of publication: Crystal structure of 1,3,5-triacetyl-2,4-dioxohexahydro-1,3,5-triazine, (CH~3~CO)~3~C~3~H~2~N~3~O~2~
• Authors of publication: Klepp, Kurt O.; Staehr, Monika; Schmidt, Harald
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 151 - 152
• a: 9.135 ± 0.003 Å
• b: 14.269 ± 0.001 Å
• c: 9.318 ± 0.004 Å
• α: 90°
• β: 118.84 ± 0.02°
• γ: 90°
• Cell volume: 1064 ± 1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.033
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No