Information card for entry 7124237

Structure parameters

• Formula: C18 H16 O3 S2
• Calculated formula: C18 H16 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: 7.2857 ± 0.0004 Å
• b: 11.4124 ± 0.0006 Å
• c: 20.6457 ± 0.0011 Å
• α: 90°
• β: 94.519 ± 0.002°
• γ: 90°
• Cell volume: 1711.3 ± 0.16 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 289.87 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No