Information card for entry 2236058

Structure parameters

• Chemical name: 3-Ethylsulfinyl-2-(3-fluorophenyl)-5-iodo-7-methyl-1-benzofuran
• Formula: C17 H14 F I O2 S
• Calculated formula: C17 H14 F I O2 S
• Title of publication: 3-Ethylsulfinyl-2-(3-fluorophenyl)-5-iodo-7-methyl-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: 10
• Pages of publication: o2965
• a: 7.3338 ± 0.0002 Å
• b: 10.361 ± 0.0002 Å
• c: 10.9799 ± 0.0002 Å
• α: 104.644 ± 0.001°
• β: 92.926 ± 0.001°
• γ: 102.035 ± 0.001°
• Cell volume: 784.71 ± 0.03 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: 0.023
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes