Information card for entry 2200507

Structure parameters

• Chemical name: L-alaninium oxalate
• Formula: C5 H9 N O6
• Calculated formula: C5 H9 N O6
• SMILES: [NH3+][C@H](C(=O)O)C.OC(=O)C(=O)[O-]
• Title of publication: <small>L</small>-Alaninium oxalate
• Authors of publication: Subha Nandhini, M.; Krishnakumar, R. V.; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o633 - o635
• a: 5.6304 ± 0.0015 Å
• b: 7.2353 ± 0.0015 Å
• c: 19.597 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 798.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes