Information card for entry 2201476

Structure parameters

• Common name: L-histidinium binitrate
• Formula: C6 H11 N5 O8
• Calculated formula: C6 H11 N5 O8
• SMILES: C(=O)([C@H](Cc1c[nH+]c[nH]1)[NH3+])O.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: <small>L</small>-Histidinium dinitrate
• Authors of publication: Benali-Cherif, Nourredine; Benguedouar, Lamia; Cherouana, Aouatef; Bendjeddou, Lamia; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o822 - o824
• a: 5.481 ± 0.0002 Å
• b: 8.286 ± 0.0005 Å
• c: 25.535 ± 0.0001 Å
• α: 90 ± 0.02°
• β: 90 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 1159.69 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes