Information card for entry 7245605

Structure parameters

• Chemical name: oxaloacetic acid
• Formula: C4 H4 O5
• Calculated formula: C4 H4 O5
• Title of publication: Anisotropy, Segmental Dynamics and Polymorphism of Crystalline Biogenic Carboxylic Acids
• Authors of publication: Pokorny, Vaclav; Touš, Petr; Stejfa, Vojtech; R°užička, Květoslav; Rohlíček, Jan; Czernek, Jiri; Brus, Jiri; Cervinka, Ctirad
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 8.69237 ± 0.00014 Å
• b: 6.06857 ± 0.00009 Å
• c: 5.58397 ± 0.0001 Å
• α: 90°
• β: 120.797 ± 0.001°
• γ: 90°
• Cell volume: 253.02 ± 0.008 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.0979
• Goodness-of-fit parameter for all reflections: 11.2694
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No