Information card for entry 2235103

Structure parameters

• Chemical name: 1-(4-Fluorophenyl)-2-(phenylsulfonyl)ethanone
• Formula: C14 H11 F O3 S
• Calculated formula: C14 H11 F O3 S
• SMILES: S(=O)(=O)(CC(=O)c1ccc(F)cc1)c1ccccc1
• Title of publication: 1-(4-Fluorophenyl)-2-(phenylsulfonyl)ethanone
• Authors of publication: Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1659
• a: 13.7046 ± 0.0003 Å
• b: 5.3216 ± 0.0001 Å
• c: 20.4401 ± 0.0005 Å
• α: 90°
• β: 119.612 ± 0.002°
• γ: 90°
• Cell volume: 1296.01 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes