Information card for entry 4123420

Structure parameters

• Formula: C6 H4 K N O5 S
• Calculated formula: C6 H4 K N O5 S
• Title of publication: N-Heterocyclic Carbene-Catalyzed Radical Reactions for Highly Enantioselective β-Hydroxylation of Enals.
• Authors of publication: Zhang, Yuexia; Du, Yu; Huang, Zhijian; Xu, Jianfeng; Wu, Xingxing; Wang, Yuhuang; Wang, Ming; Yang, Song; Webster, Richard D.; Chi, Yonggui Robin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 7
• Pages of publication: 2416 - 2419
• a: 15.097 ± 0.002 Å
• b: 7.8518 ± 0.0014 Å
• c: 7.2255 ± 0.0012 Å
• α: 90°
• β: 100.1 ± 0.005°
• γ: 90°
• Cell volume: 843.2 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No