Information card for entry 1547578

Structure parameters

• Formula: C15 H12 O2 S
• Calculated formula: C15 H12 O2 S
• SMILES: S1(=O)(=O)c2ccccc2C2(c3c1cccc3)CC2
• Title of publication: Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts.
• Authors of publication: Wang, Ming; Chen, Shihao; Jiang, Xuefeng
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4916 - 4919
• a: 11.6687 ± 0.0008 Å
• b: 8.3221 ± 0.0005 Å
• c: 12.6959 ± 0.0008 Å
• α: 90°
• β: 101.677 ± 0.002°
• γ: 90°
• Cell volume: 1207.36 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.092
• 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: No