Information card for entry 1546951

Structure parameters

• Formula: C30 H18 O2 S2
• Calculated formula: C30 H18 O2 S2
• SMILES: S1(=O)(=O)c2ccc(c3c4c(ccc3)cccc4)cc2c2c1ccc(c2)c1sc2c(c1)cccc2
• 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: 17.278 ± 0.004 Å
• b: 10.111 ± 0.002 Å
• c: 13.842 ± 0.003 Å
• α: 90°
• β: 109.626 ± 0.006°
• γ: 90°
• Cell volume: 2277.7 ± 0.9 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: 0.1439
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No