Information card for entry 2225326

Structure parameters

• Chemical name: (5-Ammoniopentyl)triphenylphosphonium dibromide ethanol solvate
• Formula: C25 H34 Br2 N O P
• Calculated formula: C25 H34 Br2 N O P
• SMILES: C(CCCC[NH3+])[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-].OCC
• Title of publication: (5-Ammoniopentyl)triphenylphosphonium dibromide ethanol solvate
• Authors of publication: Evans, Cameron
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o502 - o503
• a: 16.6 ± 0.003 Å
• b: 11.947 ± 0.002 Å
• c: 26.257 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5207.3 ± 1.6 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes