Information card for entry 2232017

Structure parameters

• Chemical name: 1-(1-Benzofuran-2-yl)-2-(phenylsulfonyl)ethanone
• Formula: C16 H12 O4 S
• Calculated formula: C16 H12 O4 S
• SMILES: S(=O)(=O)(c1ccccc1)CC(=O)c1oc2c(c1)cccc2
• Title of publication: 1-(1-Benzofuran-2-yl)-2-(phenylsulfonyl)ethanone
• Authors of publication: Abdel-Aziz, Hatem A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2675
• a: 10.756 ± 0.0002 Å
• b: 4.7855 ± 0.0001 Å
• c: 26.1838 ± 0.0005 Å
• α: 90°
• β: 91.024 ± 0.002°
• γ: 90°
• Cell volume: 1347.54 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes