Information card for entry 2202444

Structure parameters

• Common name: tris(pentafluorophenyl)phosphine oxide
• Formula: C18 F15 O P
• Calculated formula: C18 F15 O P
• SMILES: P(=O)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Tris(pentafluorophenyl)phosphine oxide
• Authors of publication: Nicholson, Brian K.; Thwaite, Susanna E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1700 - o1701
• a: 9.562 ± 0.001 Å
• b: 20.489 ± 0.001 Å
• c: 18.303 ± 0.001 Å
• α: 90°
• β: 95.95 ± 0.01°
• γ: 90°
• Cell volume: 3566.5 ± 0.5 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No