Information card for entry 2231873

Structure parameters

• Chemical name: 5-Cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
• Formula: C20 H19 F O2 S
• Calculated formula: C20 H19 F O2 S
• Title of publication: 5-Cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
• Authors of publication: Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2591
• a: 20.0254 ± 0.0013 Å
• b: 33.197 ± 0.002 Å
• c: 10.0233 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6663.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes