Information card for entry 2236055

Structure parameters

• Common name: L-Leucinium fluoride monohydrate
• Chemical name: L-Leucinium fluoride monohydrate
• Formula: C6 H16 F N O3
• Calculated formula: C6 H16 F N O3
• SMILES: [F-].OC(=O)[C@@H]([NH3+])CC(C)C.O
• Title of publication: <small>L</small>-Leucinium fluoride monohydrate
• Authors of publication: Zeghouan, Ouahida; Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Lecomte, Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2959 - o2960
• a: 5.7058 ± 0.0001 Å
• b: 5.8289 ± 0.0001 Å
• c: 27.315 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 908.46 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0328
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes