Information card for entry 2238099

Structure parameters

• Chemical name: 3-(2-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)c1c(F)cccc1
• Title of publication: 3-(2-Fluorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o821
• a: 6.0969 ± 0.001 Å
• b: 10.9279 ± 0.0016 Å
• c: 11.2209 ± 0.0016 Å
• α: 78.167 ± 0.01°
• β: 83.72 ± 0.01°
• γ: 79.722 ± 0.011°
• Cell volume: 717.92 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes