Information card for entry 2211522

Structure parameters

• Formula: C8 H14 F N O
• Calculated formula: C8 H14 F N O
• SMILES: [C@H](c1ccccc1)(C)[NH3+].[F-].O
• Title of publication: (<i>R</i>)-Phenylethanaminium fluoride monohydrate
• Authors of publication: Fischer, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5834 - o5835
• a: 6.1754 ± 0.0002 Å
• b: 6.6276 ± 0.0005 Å
• c: 22.772 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 932.01 ± 0.11 ų
• Cell temperature: 299 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: 0.0617
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes