Information card for entry 7151105

Structure parameters

• Formula: C24 H16 F5 O P
• Calculated formula: C24 H16 F5 O P
• SMILES: P(=CC1=C(F)C(=O)C(F)(F)C1(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reaction of perfluorocyclopentene with various carbon nucleophiles‒heteroaromatic lithium reagents, enolate and phosphonium ylide.
• Authors of publication: Yamada, Shigeyuki; Ishii, Emi; Konno, Tsutomu; Ishihara, Takashi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 1442 - 1449
• a: 17.266 ± 0.007 Å
• b: 17.317 ± 0.007 Å
• c: 13.791 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4123 ± 3 ų
• Cell temperature: 198.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No