Information card for entry 4133809

Structure parameters

• Formula: C30 H42 F N O3 S Si
• Calculated formula: C30 H42 F N O3 S Si
• SMILES: S(=O)(=O)(N1C[C@@H]2[C@H]([C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC=C2C1)c1ccc(F)cc1)c1ccc(cc1)C.S(=O)(=O)(N1C[C@H]2[C@@H]([C@H](O[Si](C(C)C)(C(C)C)C(C)C)CC=C2C1)c1ccc(F)cc1)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: 8.3949 ± 0.0005 Å
• b: 10.5821 ± 0.0006 Å
• c: 17.3603 ± 0.0009 Å
• α: 93.464 ± 0.005°
• β: 90.484 ± 0.005°
• γ: 105.891 ± 0.005°
• Cell volume: 1480.07 ± 0.15 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1596
• Residual factor for significantly intense reflections: 0.1227
• Weighted residual factors for significantly intense reflections: 0.3349
• Weighted residual factors for all reflections included in the refinement: 0.3566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No