Information card for entry 1546072

Structure parameters

• Formula: C23 H18 O4 S
• Calculated formula: C23 H18 O4 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)Cc1oc2c(c1C(=O)c1ccccc1)cccc2
• Title of publication: Ag-Catalyzed Oxidative Cyclization Reaction of 1,6-Enynes and Sodium Sulfinate: Access to Sulfonylated Benzofurans.
• Authors of publication: Wu, Wanqing; Yi, Songjian; Huang, Wei; Luo, Di; Jiang, Huanfeng
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2825 - 2828
• a: 13.939 ± 0.002 Å
• b: 11.8628 ± 0.0016 Å
• c: 12.342 ± 0.002 Å
• α: 90°
• β: 105.579 ± 0.018°
• γ: 90°
• Cell volume: 1965.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0693
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0608
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No