Information card for entry 2227666

Structure parameters

• Chemical name: 5-Chloro-3-ethylsulfinyl-2-(4-iodophenyl)-7-methyl-1-benzofuran
• Formula: C17 H14 Cl I O2 S
• Calculated formula: C17 H14 Cl I O2 S
• Title of publication: 5-Chloro-3-ethylsulfinyl-2-(4-iodophenyl)-7-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: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2277
• a: 7.8013 ± 0.0002 Å
• b: 10.424 ± 0.0003 Å
• c: 11.6003 ± 0.0003 Å
• α: 115.962 ± 0.001°
• β: 98.04 ± 0.001°
• γ: 96.661 ± 0.001°
• Cell volume: 823 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes