Information card for entry 7022494

Structure parameters

• Formula: C15 H5 F10 P
• Calculated formula: C15 H5 F10 P
• SMILES: P(C(=C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with -P(C(6)F(5))(2) Lewis base components.
• Authors of publication: Stute, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4487 - 4499
• a: 10.0879 ± 0.0002 Å
• b: 14.1955 ± 0.0005 Å
• c: 11.6037 ± 0.0003 Å
• α: 90°
• β: 113.101 ± 0.002°
• γ: 90°
• Cell volume: 1528.44 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0595
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No