Information card for entry 2204252

Structure parameters

• Formula: C22 H24 Br P
• Calculated formula: C22 H24 Br P
• SMILES: C(C(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Title of publication: Isobutyltriphenylphosphonium bromide
• Authors of publication: Czerwinski, Edmund W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1601 - o1602
• a: 11.3309 ± 0.0003 Å
• b: 9.8033 ± 0.0002 Å
• c: 17.7075 ± 0.0003 Å
• α: 90°
• β: 106.487 ± 0.001°
• γ: 90°
• Cell volume: 1886.08 ± 0.07 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes