Information card for entry 2235706

Structure parameters

• Chemical name: 5-Cyclopentyl-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran
• Formula: C20 H19 F O2 S
• Calculated formula: C20 H19 F O2 S
• Title of publication: 5-Cyclopentyl-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2028
• a: 6.1024 ± 0.0003 Å
• b: 25.303 ± 0.0011 Å
• c: 10.684 ± 0.0005 Å
• α: 90°
• β: 90.231 ± 0.001°
• γ: 90°
• Cell volume: 1649.69 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes