Information card for entry 2227303

Structure parameters

• Common name: L-Asparagine‒L-tartaric acid (1/1)
• Chemical name: 2-Ammonio-3-carbamoylpropanoate‒2,3-dihydroxybutanedioic acid (1/1)
• Formula: C8 H14 N2 O9
• Calculated formula: C8 H14 N2 O9
• SMILES: O=C(N)C[C@@H]([NH3+])C(=O)[O-].OC(=O)[C@@H](O)[C@H](O)C(=O)O
• Title of publication: <small>L</small>-Asparagine‒<small>L</small>-tartaric acid (1/1)
• Authors of publication: Natarajan, S.; Hema, V.; Sundar, J. Kalyana; Suresh, J.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2239
• a: 5.086 ± 0.0004 Å
• b: 9.672 ± 0.0006 Å
• c: 11.834 ± 0.0008 Å
• α: 90°
• β: 95.311 ± 0.008°
• γ: 90°
• Cell volume: 579.64 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.378
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes