Information card for entry 2239354

Structure parameters

• Chemical name: 3-(2-Fluorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran
• Formula: C17 H15 F O3 S
• Calculated formula: C17 H15 F O3 S
• SMILES: Cc1cc(C)c2c(c1)c(c(o2)C)S(=O)(=O)c1ccccc1F
• Title of publication: 3-(2-Fluorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o566
• a: 7.7658 ± 0.0002 Å
• b: 8.3529 ± 0.0003 Å
• c: 12.9732 ± 0.0004 Å
• α: 74.253 ± 0.002°
• β: 75.048 ± 0.002°
• γ: 66.046 ± 0.001°
• Cell volume: 729.66 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes