Information card for entry 7124238

Structure parameters

• Formula: C29 H32 O3 S2
• Calculated formula: C29 H32 O3 S2
• Title of publication: Synthesis of Polysubstituted Cyclic 1,2-Diketones Enabled by Iterative Sulfoxide-Mediated Arylation
• Authors of publication: Meng, Xiangtai; Chen, Dengfeng; Cao, Xiaoji; Luo, Jinyue; Wang, Fei; Huang, Shenlin
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.2472 ± 0.0008 Å
• b: 13.6858 ± 0.0014 Å
• c: 19.2652 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2438.1 ± 0.4 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283.47 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: 0.1475
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No