Information card for entry 2001499

Structure parameters

• Chemical name: Aminotriphenylphosphonium bromide
• Formula: C18 H17 Br N P
• Calculated formula: C18 H17 Br N P
• SMILES: [Br-].[P+](N)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Structures of amino(triphenyl)phosphonium bromide and amino(triphenyl)phosphonium hexachloroantimonate
• Authors of publication: Pohl, E.; Gosink, H. J.; Herbst-Irmer, R.; Noltemeyer, M.; Roesky, H. W.; Sheldrick, G. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 1280 - 1283
• a: 10.978 ± 0.001 Å
• b: 9.628 ± 0.001 Å
• c: 15.53 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1641.5 ± 0.3 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0327
• Weighted residual factors for all reflections: 0.0598
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No