Information card for entry 7156047

Structure parameters

• Formula: C27 H43 N O4 Si
• Calculated formula: C27 H43 N O4 Si
• SMILES: [Si](O[C@@H]1CC[C@@H](N([C@@H]1CC=C)C(=O)OC(C)(C)C)CC(=O)c1ccccc1)(C)(C)C(C)(C)C
• Title of publication: Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.
• Authors of publication: Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 771 - 779
• a: 33.616 ± 0.0019 Å
• b: 7.9053 ± 0.0004 Å
• c: 11.1852 ± 0.0007 Å
• α: 90°
• β: 91.38 ± 0.002°
• γ: 90°
• Cell volume: 2971.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No