Information card for entry 2201876

Structure parameters

• Common name: DL-aspartic acid hemioxalate
• Formula: C10 H16 N2 O12
• Calculated formula: C10 H16 N2 O12
• SMILES: C(=O)(O)C(CC(=O)O)[NH3+].C(=O)([O-])C(=O)[O-].C(=O)(C(CC(=O)O)[NH3+])O
• Title of publication: Bis<small>(DL</small>-aspartic acid) oxalate
• Authors of publication: M. Alagar; R. V. Krishnakumar; M. Subha Nandhini; T. S. Cameron; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o108 - o110
• a: 7.387 ± 0.001 Å
• b: 5.477 ± 0.001 Å
• c: 18.522 ± 0.003 Å
• α: 90°
• β: 99.36 ± 0.01°
• γ: 90°
• Cell volume: 739.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1179
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes