Information card for entry 2201671

Structure parameters

• Common name: Bis(L-aspartic acid) nitrate
• Chemical name: Bis(L-aspartic acid) nitrate
• Formula: C8 H15 N3 O11
• Calculated formula: C8 H15 N3 O11
• SMILES: O=C(O)[C@@H]([NH3+])CC(=O)O.[O-]C(=O)[C@@H]([NH3+])CC(=O)O.N(=O)(=O)[O-]
• Title of publication: <small>L</small>-Aspartic acid nitrate‒<small>L</small>-aspartic acid (1/1)
• Authors of publication: B. Sridhar; N. Srinivasan; R. K. Rajaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1372 - o1374
• a: 5.584 ± 0.0007 Å
• b: 11.491 ± 0.003 Å
• c: 21.043 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1350.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1094
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes