Information card for entry 2220804

Structure parameters

• Chemical name: Butyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate
• Formula: C15 H17 I O4 S
• Calculated formula: C15 H17 I O4 S
• Title of publication: Butyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o266
• a: 10.298 ± 0.001 Å
• b: 15.208 ± 0.001 Å
• c: 11.109 ± 0.001 Å
• α: 90°
• β: 100.669 ± 0.001°
• γ: 90°
• Cell volume: 1709.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes