Information card for entry 2222667

Structure parameters

• Chemical name: 5-Fluoro-3-methylsulfinyl-2-phenyl-1-benzofuran
• Formula: C15 H11 F O2 S
• Calculated formula: C15 H11 F O2 S
• SMILES: S(=O)(c1c2cc(F)ccc2oc1c1ccccc1)C
• Title of publication: 5-Fluoro-3-methylsulfinyl-2-phenyl-1-benzofuran
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1957
• a: 8.507 ± 0.004 Å
• b: 16.655 ± 0.007 Å
• c: 9.553 ± 0.004 Å
• α: 90°
• β: 113.732 ± 0.005°
• γ: 90°
• Cell volume: 1239.1 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1061
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes