Information card for entry 2216544

Structure parameters

• Chemical name: (4-Carboxybutyl)triphenylphosphonium bromide
• Formula: C23 H24 Br O2 P
• Calculated formula: C23 H24 Br O2 P
• SMILES: [Br-].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCCC(=O)O
• Title of publication: (4-Carboxybutyl)triphenylphosphonium bromide
• Authors of publication: Wu, Deng-Yu; Li, Fang-Shi; Xia, Jin-Yun; Mao, Nan-Wen; Yao, Hong-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4532 - o4532
• a: 9.269 ± 0.0019 Å
• b: 13.674 ± 0.003 Å
• c: 17.075 ± 0.003 Å
• α: 88.91 ± 0.03°
• β: 87.15 ± 0.03°
• γ: 81.07 ± 0.03°
• Cell volume: 2135.1 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1853
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes