Information card for entry 4133808

Structure parameters

• Formula: C27 H37 N O3 S Si
• Calculated formula: C27 H37 N O3 S Si
• SMILES: S(=O)(=O)(N1CC2=CC[C@H](O[Si](CC)(CC)CC)[C@H]([C@@H]2C1)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1CC2=CC[C@@H](O[Si](CC)(CC)CC)[C@@H]([C@H]2C1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Hydrosilylation-Promoted Furan Diels-Alder Cycloadditions with Stereoselectivity Controlled by the Silyl Group.
• Authors of publication: Liu, Zhi-Yun; Zhang, Ming; Wang, Xiao-Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 14.031 ± 0.003 Å
• b: 8.0495 ± 0.0016 Å
• c: 23.718 ± 0.005 Å
• α: 90°
• β: 92.79 ± 0.03°
• γ: 90°
• Cell volume: 2675.6 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No