Information card for entry 2200870

Structure parameters

• Common name: DL-valinium nitrate
• Chemical name: DL-valinium nitrate
• Formula: C5 H12 N2 O5
• Calculated formula: C5 H12 N2 O5
• SMILES: N(=O)(=O)[O-].O=C(O)C([NH3+])C(C)C
• Title of publication: <small>DL</small>-Valinium nitrate
• Authors of publication: Srinivasan, N.; Sridhar, B.; Rajaram, R. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o95 - o97
• a: 9.5695 ± 0.001 Å
• b: 11.2104 ± 0.0016 Å
• c: 17.537 ± 0.003 Å
• α: 108.52 ± 0.03°
• β: 104.14 ± 0.02°
• γ: 90.25 ± 0.02°
• Cell volume: 1723 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes