Information card for entry 2204265

Structure parameters

• Chemical name: 5,5-dihydroxybarbituric acid trihydrate
• Formula: C4 H10 N2 O8
• Calculated formula: C4 H10 N2 O8
• Title of publication: Redetermination of 5,5-dihydroxybarbituric acid trihydrate (alloxan tetrahydrate)
• Authors of publication: Thomas C. Lewis; Derek A. Tocher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1748 - o1750
• a: 9.4614 ± 0.0008 Å
• b: 12.2095 ± 0.001 Å
• c: 7.2973 ± 0.0006 Å
• α: 90°
• β: 91.465 ± 0.001°
• γ: 90°
• Cell volume: 842.7 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes