Information card for entry 4129368

Structure parameters

• Formula: C26 H16 O S2
• Calculated formula: C26 H16 O S2
• SMILES: O=C1c2c([C@@]3(c4c(C(=C3c3cccs3)c3cccs3)cccc4)C=C1)cccc2
• Title of publication: Palladium-Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic Biaryls: Axial-to-Central Chirality Transfer.
• Authors of publication: Yang, Liu; Zheng, Huayu; Luo, Lei; Nan, Jiang; Liu, Jingjing; Wang, Yaoyu; Luan, Xinjun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 15
• Pages of publication: 4876 - 4879
• a: 9.0153 ± 0.0009 Å
• b: 10.5421 ± 0.001 Å
• c: 21.135 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2008.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0586
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No