Information card for entry 7203392

Structure parameters

• Formula: C6 H11 N3 O3
• Calculated formula: C6 H11 N3 O3
• Title of publication: Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines
• Authors of publication: Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 756
• a: 14.023 ± 0.009 Å
• b: 12.02 ± 0.02 Å
• c: 9.949 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1677 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No