Information card for entry 7156750

Structure parameters

• Formula: C18 H14 O2 S
• Calculated formula: C18 H14 O2 S
• Title of publication: A cascade oxidation/[4 + 1] annulation of sulfonium salts for synthesis of polyfunctional furans: DMSO as one carbon source.
• Authors of publication: Shu, Wen-Ming; Wang, Shuai; Zhang, Xun-Fang; He, Jian-Xin; Wu, An-Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4311 - 4316
• a: 13.27 ± 0.003 Å
• b: 5.3525 ± 0.0011 Å
• c: 20.691 ± 0.004 Å
• α: 90°
• β: 103.956 ± 0.004°
• γ: 90°
• Cell volume: 1426.3 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No