Information card for entry 2209324

Structure parameters

• Chemical name: (R)-1-Phenylethanaminium bromide
• Formula: C8 H12 Br N
• Calculated formula: C8 H12 Br N
• SMILES: [Br-].[NH3+][C@H](C)c1ccccc1
• Title of publication: (<i>R</i>)-1-Phenylethanaminium bromide
• Authors of publication: Andreas Fischer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2556 - o2557
• a: 5.5319 ± 0.0009 Å
• b: 8.6962 ± 0.0014 Å
• c: 19.364 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 931.5 ± 0.3 ų
• Cell temperature: 297 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: 0.088
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes