Information card for entry 4324467

Structure parameters

• Formula: C16 H20 F5 N2 O3 P
• Calculated formula: C16 H20 F5 N2 O3 P
• Title of publication: Reaction of Perfluoroalkyl Grignard Reagents with Phosphorus Trihalides: A New Route to Perfluoroalkyl-phosphonous and -phosphonic Acids
• Authors of publication: Adil I. Hosein; Xavier F. Le Goff; Louis Ricard; Andrew J. M. Caffyn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1484 - 1490
• a: 12.922 ± 0.001 Å
• b: 21.573 ± 0.001 Å
• c: 6.666 ± 0.001 Å
• α: 90°
• β: 91.285 ± 0.001°
• γ: 90°
• Cell volume: 1857.8 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No