Information card for entry 1552095

Structure parameters

• Formula: C10 H18 N2 O7
• Calculated formula: C10 H18 N2 O7
• SMILES: [NH3+][C@H](C(=O)[O-])CCC[NH3+].O=C([O-])C(=O)CCC(=O)O
• Title of publication: Characterization of molecular associations involving L-ornithine and alpha-ketoglutaric acid: Crystal structure of L-ornithinium alpha-ketoglutarate
• Authors of publication: H. Allouchi; R. Ceolin; L. Berthon; F. Tombret; I. B. Rietveld
• Journal of publication: Annales Pharmaceutiques Francaises
• Year of publication: 2014
• Journal volume: 72
• Pages of publication: 238 - 243
• a: 15.4326 ± 0.0003 Å
• b: 5.2015 ± 0.0001 Å
• c: 16.2067 ± 0.0003 Å
• α: 90°
• β: 91.986 ± 0.001°
• γ: 90°
• Cell volume: 1300.17 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0708
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No