Information card for entry 2238061

Structure parameters

• Chemical name: 5-Cyclohexyl-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran
• Formula: C21 H21 F O2 S
• Calculated formula: C21.002 H21 F O2 S
• Title of publication: 5-Cyclohexyl-2-(2-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: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o887
• a: 33.0231 ± 0.0012 Å
• b: 5.6347 ± 0.0002 Å
• c: 19.22 ± 0.0006 Å
• α: 90°
• β: 95.855 ± 0.002°
• γ: 90°
• Cell volume: 3557.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes