Information card for entry 2203868

Structure parameters

• Formula: C26 H20 Cl3 O P
• Calculated formula: C26 H20 Cl3 O P
• SMILES: Clc1c(C(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc(Cl)c1.[Cl-]
• Title of publication: (2,4-Dichlorobenzoylmethyl)triphenylphosphonium chloride
• Authors of publication: Zhang, Xingguo; Zhong, Ping; Hu, Mao-lin; Lin, Deqing; Lin, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1200 - o1201
• a: 12.5615 ± 0.0004 Å
• b: 10.9659 ± 0.0004 Å
• c: 17.2638 ± 0.0005 Å
• α: 90°
• β: 104.805 ± 0.001°
• γ: 90°
• Cell volume: 2299.11 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0439
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes