Information card for entry 2206391

Structure parameters

• Common name: L-Histidinium Sulfate
• Chemical name: L-Histidinium sulfate
• Formula: C6 H11 N3 O6 S
• Calculated formula: C6 H11 N3 O6 S
• SMILES: O=C(O)[C@@H]([NH3+])Cc1c[nH]c[nH+]1.S(=O)(=O)([O-])[O-]
• Title of publication: <small>L</small>-Histidinium sulfate
• Authors of publication: R. Praveen Kumar; S. Athimoolam; S. Asath Bahadur; R. K. Rajaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2419 - o2421
• a: 6.8616 ± 0.0006 Å
• b: 5.8084 ± 0.0006 Å
• c: 25.6901 ± 0.0018 Å
• α: 90°
• β: 90.733 ± 0.008°
• γ: 90°
• Cell volume: 1023.79 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes