Information card for entry 2211727

Structure parameters

• Chemical name: 2-Phenylethylammonium bromide
• Formula: C8 H12 Br N
• Calculated formula: C8 H12 Br N
• SMILES: [Br-].[NH3+]CCc1ccccc1
• Title of publication: 2-Phenylethylammonium bromide
• Authors of publication: Rademeyer, Melanie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o221 - o223
• a: 4.6871 ± 0.0004 Å
• b: 6.1419 ± 0.0004 Å
• c: 32.047 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 922.56 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.054
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes