Information card for entry 2005155

Structure parameters

• Chemical name: (Pentafluorophhenyl)diphenylphosphine.
• Formula: C18 H10 F5 P
• Calculated formula: C18 H10 F5 P
• SMILES: P(c1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1
• Title of publication: (Pentafluorophenyl)diphenylphosphine
• Authors of publication: bin Shawkataly, O.; Chong, M.-L.; Fun, H.-K.; Sivakumar, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1725 - 1727
• a: 16.363 ± 0.002 Å
• b: 5.8964 ± 0.0004 Å
• c: 16.347 ± 0.001 Å
• α: 90°
• β: 96.84 ± 0.01°
• γ: 90°
• Cell volume: 1566 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections: 0.1266
• Weighted residual factors for significantly intense reflections: 0.1027
• Goodness-of-fit parameter for all reflections: 0.921
• Goodness-of-fit parameter for significantly intense reflections: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No