Information card for entry 2240175

Structure parameters

• Common name: allylammonium oxalate
• Chemical name: Bis(allylammonium) oxalate
• Formula: C8 H16 N2 O4
• Calculated formula: C8 H16 N2 O4
• Title of publication: Crystal structure of bis(allylammonium) oxalate
• Authors of publication: Dziuk, Błażej; Zarychta, Bartosz; Ejsmont, Krzysztof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1229 - o1230
• a: 6.706 ± 0.0003 Å
• b: 12.1364 ± 0.001 Å
• c: 40.6017 ± 0.0016 Å
• α: 90°
• β: 93.969 ± 0.004°
• γ: 90°
• Cell volume: 3296.5 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes