Information card for entry 7720967

Structure parameters

• Formula: C14 H12 F3 P
• Calculated formula: C14 H12 F3 P
• Title of publication: Selective Defluorination of 1,1,1,2-Tetrafluoroethane by Lithium Phosphide Reagents
• Authors of publication: Warsame, Hodan R.; Demetriou, Colleen M.; Crimmin, Mark Richard
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 12.8168 ± 0.0003 Å
• b: 5.494 ± 0.0001 Å
• c: 18.519 ± 0.0003 Å
• α: 90°
• β: 100.921 ± 0.002°
• γ: 90°
• Cell volume: 1280.41 ± 0.04 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0435
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No