Information card for entry 2229782

Structure parameters

• Chemical name: 3-Cyclohexylsulfinyl-5-iodo-2-methyl-1-benzofuran
• Formula: C15 H17 I O2 S
• Calculated formula: C15 H17 I O2 S
• Title of publication: 3-Cyclohexylsulfinyl-5-iodo-2-methyl-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: 4
• Pages of publication: o1026
• a: 14.1817 ± 0.0002 Å
• b: 12.1347 ± 0.0002 Å
• c: 18.1258 ± 0.0003 Å
• α: 90°
• β: 101.136 ± 0.001°
• γ: 90°
• Cell volume: 3060.55 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes