Information card for entry 2200501

Structure parameters

• Common name: Bis(DL-aspartic acid) sulfate
• Chemical name: Bis(DL-aspartic acid) sulfate
• Formula: C8 H16 N2 O12 S
• Calculated formula: C8 H16 N2 O12 S
• SMILES: S(=O)(=O)([O-])[O-].O=C(O)C([NH3+])CC(=O)O.O=C(O)C([NH3+])CC(=O)O
• Title of publication: Bis(<small>DL</small>-aspartic acid) sulfate
• Authors of publication: Srinivasan, N.; Sridhar, B.; Rajaram, R. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o679 - o681
• a: 16.774 ± 0.004 Å
• b: 5.9697 ± 0.0009 Å
• c: 14.5276 ± 0.0018 Å
• α: 90°
• β: 98.66 ± 0.02°
• γ: 90°
• Cell volume: 1438.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes