Information card for entry 7130945

Structure parameters

• Formula: C16 H15 F6 P Si
• Calculated formula: C16 H15 F6 P Si
• 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: 10.4653 ± 0.0002 Å
• b: 10.4653 ± 0.0002 Å
• c: 31.2709 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3424.87 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No