Information card for entry 2240751

Structure parameters

• Chemical name: Benzyltriphenylphosphonium chloride monohydrate
• Formula: C25 H24 Cl O P
• Calculated formula: C25 H24 Cl O P
• SMILES: [Cl-].[P+](Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O
• Title of publication: Crystal structure of benzyltriphenylphosphonium chloride monohydrate
• Authors of publication: Ahmad, Jimmy; Abdul Halim, Siti Nadiah; How, Fiona N.-F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o410 - o411
• a: 9.7368 ± 0.0008 Å
• b: 19.7474 ± 0.0017 Å
• c: 11.417 ± 0.0009 Å
• α: 90°
• β: 109.728 ± 0.009°
• γ: 90°
• Cell volume: 2066.4 ± 0.3 ų
• Cell temperature: 100.1 ± 0.6 K
• Ambient diffraction temperature: 100.1 ± 0.6 K
• Number of distinct elements: 5
• 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: 0.0953
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes