Information card for entry 7241886

Structure parameters

• Formula: C20 H11 F5 O5 S4
• Calculated formula: C20 H11 F5 O5 S4
• Title of publication: Three-component heteroannulation for tetrasubstituted furan construction enabled by successive defluorination and dual sulfonylation relay
• Authors of publication: Cai, Song-Zhou; Ge, Danhua; Sun, Li-Wen; Rao, Weidong; Wang, Xin; Shen, Zhi-Liang; Chu, Xue-Qiang
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 2
• Pages of publication: 935 - 941
• a: 7.7476 ± 0.0007 Å
• b: 18.5104 ± 0.0019 Å
• c: 23.642 ± 0.002 Å
• α: 72.297 ± 0.003°
• β: 85.352 ± 0.003°
• γ: 85.778 ± 0.003°
• Cell volume: 3215.1 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1628
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No