Information card for entry 7152244

Structure parameters

• Common name: 3-fluoro-5-(4-methylphenyl)-2-phenyl-4-(phenylethynyl)furan
• Chemical name: 3-fluoro-5-(4-methylphenyl)-2-phenyl-4-(phenylethynyl)furan
• Formula: C25 H17 F O
• Calculated formula: C25 H17 F O
• SMILES: Fc1c(oc(c1C#Cc1ccccc1)c1ccc(cc1)C)c1ccccc1
• Title of publication: Room temperature syntheses of entirely diverse substituted β-fluorofurans.
• Authors of publication: Li, Yan; Wheeler, Kraig A.; Dembinski, Roman
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 2395 - 2408
• a: 13.0824 ± 0.0006 Å
• b: 5.1563 ± 0.0002 Å
• c: 26.5341 ± 0.0012 Å
• α: 90°
• β: 93.297 ± 0.003°
• γ: 90°
• Cell volume: 1786.94 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0668
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No