Information card for entry 7249899

Structure parameters

• Formula: C28 H18 O2 S3
• Calculated formula: C28 H18 O2 S3
• Title of publication: Photo-induced intramolecular alkyl/aryl group transfer and SO2 insertion: a new strategy for the synthesis of 3-(alkyl/arylsulfonyl)benzothiophenes
• Authors of publication: Xu, Tiantian; Wang, Fen-Dou; Yang, Wen-Chao; Lu, Tong; Wang, Min; Li, Pinhua
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 2386 - 2391
• a: 12.6015 ± 0.0004 Å
• b: 14.4095 ± 0.0005 Å
• c: 13.064 ± 0.0004 Å
• α: 90°
• β: 105.544 ± 0.001°
• γ: 90°
• Cell volume: 2285.42 ± 0.13 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.114
• 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