Information card for entry 1566597

Structure parameters

• Formula: C28 H24 O6 S2
• Calculated formula: C28 H24 O6 S2
• Title of publication: Enantioselective [1,2]-Stevens Rearrangement of Thiosulfonates to Construct Dithio-Substituted Quaternary Carbon Centers
• Authors of publication: Hu, Linfeng; Li, Jinzhao; Zhang, Yongyan; Feng, Xiaoming; Liu, Xiaohua
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 9.2608 ± 0.0003 Å
• b: 14.3014 ± 0.0005 Å
• c: 18.9339 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2507.65 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No