Information card for entry 2204515

Structure parameters

• Common name: L-ornithinium sulfate monohydrate
• Chemical name: L-ornithinium sulfate monohydrate
• Formula: C5 H16 N2 O7 S
• Calculated formula: C5 H16 N2 O7 S
• SMILES: S(=O)(=O)([O-])[O-].OC(=O)[C@@H]([NH3+])CCC[NH3+].O
• Title of publication: <small>L</small>-Ornithinium sulfate monohydrate
• Authors of publication: Ravikumar, B.; Athimoolam, S.; Rajaram, R. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2093 - o2095
• a: 6.1589 ± 0.0002 Å
• b: 9.682 ± 0.006 Å
• c: 18.714 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1115.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No