Information card for entry 4116139

Structure parameters

• Common name: Oxalic acid
• Chemical name: Ethane-1,2-dioic acid
• Formula: C2 H2 O4
• Calculated formula: C2 H2 O4
• SMILES: O=C(C(=O)O)O
• Title of publication: The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids
• Authors of publication: Venkat R. Thalladi; Markus Nüsse; Roland Boese
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 9227 - 9236
• a: 6.4928 ± 0.0001 Å
• b: 6.06 ± 0.0002 Å
• c: 7.803 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 307.02 ± 0.016 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections: 0.1066
• Weighted residual factors for significantly intense reflections: 0.1046
• Goodness-of-fit parameter for all reflections: 1.193
• Goodness-of-fit parameter for significantly intense reflections: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No