Information card for entry 2201238

Structure parameters

• Common name: L-alaninium tartrate
• Chemical name: L-alaninium tartrate
• Formula: C7 H13 N O8
• Calculated formula: C7 H13 N O8
• SMILES: OC(=O)[C@@H]([NH3+])C.OC(=O)[C@@H](O)[C@H](O)C(=O)[O-]
• Title of publication: <small>L</small>-Alaninium tartrate
• Authors of publication: K. Rajagopal; M. Subha Nandhini; R. V. Krishnakumar; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1306 - o1308
• a: 5.1446 ± 0.0008 Å
• b: 13.721 ± 0.003 Å
• c: 7.4751 ± 0.0009 Å
• α: 90 ± 0.01°
• β: 98.09 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 522.41 ± 0.15 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: 0.0439
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes