Information card for entry 2224934

Structure parameters

• Chemical name: 3-(4-Fluorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran
• Formula: C17 H15 F O2 S
• Calculated formula: C17 H15 F O2 S
• SMILES: S(=O)(c1c2cc(cc(c2oc1C)C)C)c1ccc(F)cc1
• Title of publication: 3-(4-Fluorophenylsulfinyl)-2,5,7-trimethyl-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: 2
• Pages of publication: o472
• a: 6.2558 ± 0.0002 Å
• b: 11.1848 ± 0.0003 Å
• c: 11.9766 ± 0.0005 Å
• α: 110.355 ± 0.002°
• β: 99.448 ± 0.002°
• γ: 104.13 ± 0.001°
• Cell volume: 732.76 ± 0.05 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes