Information card for entry 7151104

Structure parameters

• Formula: C43 H32 Br F5 P2
• Calculated formula: C43 H32 Br F5 P2
• SMILES: [Br-].[P+](/C=C1\C(=C(C(F)(F)C1(F)F)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)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: 16.463 ± 0.009 Å
• b: 18.19 ± 0.011 Å
• c: 13.501 ± 0.01 Å
• α: 90°
• β: 111.93 ± 0.04°
• γ: 90°
• Cell volume: 3750 ± 4 ų
• Cell temperature: 198.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.2354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No