Information card for entry 2235899

Structure parameters

• Chemical name: 5-Bromo-3-(3-fluorophenylsulfinyl)-2-methyl-1-benzofuran
• Formula: C15 H10 Br F O2 S
• Calculated formula: C15.006 H10 Br F O2 S
• Title of publication: 5-Bromo-3-(3-fluorophenylsulfinyl)-2-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: 8
• Pages of publication: o2491
• a: 13.0488 ± 0.0004 Å
• b: 11.1874 ± 0.0003 Å
• c: 9.9295 ± 0.0003 Å
• α: 90°
• β: 105.709 ± 0.002°
• γ: 90°
• Cell volume: 1395.39 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes