Information card for entry 7130948

Structure parameters

• Formula: C17 H25 F6 P Si2
• Calculated formula: C17 H25 F6 P Si2
• SMILES: P12C(=C(C(C(=C1[Si](C)(C)C)C)C(=C2C(F)(F)F)C(F)(F)F)C)[Si](C)(C)C
• Title of publication: Triple dehydrofluorination as a route to amidine-functionalized, aromatic phosphorus heterocycles
• Authors of publication: Coles, Nathan Thomas; Groth, Lucie; Dettling, Lea; Frost, Daniel Sebastian; Rigo, Massimo; Neale, Samuel E.; Muller, Christian
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 13.9601 ± 0.0006 Å
• b: 7.9856 ± 0.0003 Å
• c: 19.8245 ± 0.0009 Å
• α: 90°
• β: 103.593 ± 0.002°
• γ: 90°
• Cell volume: 2148.13 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No