Information card for entry 2005403

Structure parameters

• Chemical name: Tris(4-fluorophenyl)phosphine.
• Formula: C18 H12 F3 P
• Calculated formula: C18 H12 F3 P
• SMILES: P(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
• Title of publication: Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine
• Authors of publication: bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2243 - 2245
• a: 12.428 ± 0.001 Å
• b: 12.428 ± 0.001 Å
• c: 8.753 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1170.82 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.0723
• Goodness-of-fit parameter for all reflections: 0.907
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No