Information card for entry 2221001

Structure parameters

• Chemical name: 4-[2-(4-Fluorophenyl)furan-3-yl]pyridine
• Formula: C15 H10 F N O
• Calculated formula: C15 H10 F N O
• SMILES: Fc1ccc(c2occc2c2ccncc2)cc1
• Title of publication: 4-[2-(4-Fluorophenyl)furan-3-yl]pyridine
• Authors of publication: Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o458
• a: 13.343 ± 0.009 Å
• b: 10.55 ± 0.003 Å
• c: 8.178 ± 0.005 Å
• α: 90°
• β: 94.44 ± 0.03°
• γ: 90°
• Cell volume: 1147.8 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes