Information card for entry 7128145

Structure parameters

• Formula: C20 H15 F2 O2 P
• Calculated formula: C20 H15 F2 O2 P
• SMILES: P1(=O)(C(Oc2ccccc12)(c1ccccc1)c1ccccc1)C(F)F
• Title of publication: All-carbon phosphoranes <i>via</i> difluorocarbene trapping.
• Authors of publication: Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 39
• Pages of publication: 4823 - 4826
• a: 10.1354 ± 0.0006 Å
• b: 12.5827 ± 0.0008 Å
• c: 14.7085 ± 0.0009 Å
• α: 89.257 ± 0.002°
• β: 74.417 ± 0.002°
• γ: 75.991 ± 0.002°
• Cell volume: 1750.37 ± 0.19 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No