Information card for entry 2225158

Structure parameters

• Chemical name: 3-(4-Fluorophenylsulfinyl)-2-methyl-1-benzofuran
• Formula: C15 H11 F O2 S
• Calculated formula: C15 H11 F O2 S
• SMILES: S(=O)(c1c2ccccc2oc1C)c1ccc(F)cc1
• Title of publication: 3-(4-Fluorophenylsulfinyl)-2-methyl-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: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o564
• a: 14.992 ± 0.001 Å
• b: 10.4661 ± 0.0008 Å
• c: 16.008 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2511.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes