Information card for entry 2223215

Structure parameters

• Chemical name: 5-Fluoro-2-(4-iodophenyl)-3-methylsulfinyl-1-benzofuran
• Formula: C15 H10 F I O2 S
• Calculated formula: C15 H10 F I O2 S
• SMILES: Ic1ccc(c2c(S(=O)C)c3cc(F)ccc3o2)cc1
• Title of publication: 5-Fluoro-2-(4-iodophenyl)-3-methylsulfinyl-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: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2115
• a: 8.8989 ± 0.0005 Å
• b: 9.237 ± 0.0005 Å
• c: 10.3357 ± 0.0005 Å
• α: 105.579 ± 0.001°
• β: 115.302 ± 0.001°
• γ: 101.671 ± 0.001°
• Cell volume: 689.08 ± 0.06 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes