Information card for entry 2205677

Structure parameters

• Common name: DL-Leucinium nitrate
• Formula: C6 H14 N2 O5
• Calculated formula: C6 H14 N2 O5
• SMILES: O=C(O)C([NH3+])CC(C)C.O=N(=O)[O-]
• Title of publication: <small>DL</small>-Leucinium nitrate
• Authors of publication: Berrah, Fadila; Benali-Cherif, Nourredine; Lamraoui, Hanane
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1517 - o1519
• a: 11.0324 ± 0.0002 Å
• b: 5.62 ± 0.0002 Å
• c: 16.4317 ± 0.0003 Å
• α: 90°
• β: 105.789 ± 0.002°
• γ: 90°
• Cell volume: 980.36 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes