Information card for entry 7124591

Structure parameters

• Formula: C27 H30 N2 O6 S
• Calculated formula: C27 H30 N2 O6 S
• Title of publication: Highly enantioselective [3+2] coupling of cyclic enamides with quinone monoimines promoted by a chiral phosphoric acid.
• Authors of publication: Zhang, Minmin; Yu, Shuowen; Hu, Fangzhi; Liao, Yijun; Liao, Lihua; Xu, Xiaoying; Yuan, Weicheng; Zhang, Xiaomei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 56
• Pages of publication: 8757 - 8760
• a: 8.931 ± 0.004 Å
• b: 10.538 ± 0.005 Å
• c: 28.633 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2695 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No