Information card for entry 2230298

Structure parameters

• Chemical name: 3-(3-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)c1cc(F)ccc1
• Title of publication: 3-(3-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: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1468
• a: 6.2942 ± 0.0002 Å
• b: 11.1162 ± 0.0004 Å
• c: 11.8021 ± 0.0006 Å
• α: 110.701 ± 0.003°
• β: 100.176 ± 0.003°
• γ: 103.621 ± 0.002°
• Cell volume: 719.39 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes