Information card for entry 2001481

Structure parameters

• Chemical name: tris(nonafluoroisobutyl)phosphine oxide
• Formula: C12 F27 O P
• Calculated formula: C12 F27 O P
• Title of publication: Structure of tris(nonafluoroisobutyl)phosphine oxide
• Authors of publication: Lynch, V. M.; Kampa, J. J.; Lagow, R. J.; Davis, B. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1549 - 1551
• a: 6.8294 ± 0.0009 Å
• b: 19.627 ± 0.003 Å
• c: 15.702 ± 0.003 Å
• α: 90°
• β: 98.3 ± 0.014°
• γ: 90°
• Cell volume: 2082.7 ± 0.6 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.379
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No