Information card for entry 7250709

Structure parameters

• Formula: C36 H28 O4 S4
• Calculated formula: C36 H28 O4 S4
• Title of publication: Electrochemical ring-opening oxidation of aryl thianthrenium salts
• Authors of publication: Yuan, Yong; Bai, Chunyan; Tao, Yuyan; Zhang, Ya-Nan; Bao, Xiazhen; Ji, Dongsheng; Wang, Liwei; Qi, Xiaotian; Huo, Congde
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 32
• Pages of publication: 9777 - 9786
• a: 14.712 ± 0.0002 Å
• b: 9.99449 ± 0.00019 Å
• c: 21.0468 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3094.7 ± 0.09 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No