Information card for entry 4031019

Structure parameters

• Formula: C24 H34 Cl N O4 Si
• Calculated formula: C24 H34 Cl N O4 Si
• SMILES: Clc1ccc(C#C[C@H]2N(C(=O)CC[C@@H]2O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)cc1
• Title of publication: Divergent Method to trans-5-Hydroxy-6-alkynyl/alkenyl-2-piperidinones: Syntheses of (-)-Epiquinamide and (+)-Swainsonine.
• Authors of publication: Si, Chang-Mei; Mao, Zhuo-Ya; Dong, Han-Qing; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 5824 - 5833
• a: 10.902 ± 0.009 Å
• b: 11.579 ± 0.009 Å
• c: 11.064 ± 0.009 Å
• α: 90°
• β: 112.415 ± 0.015°
• γ: 90°
• Cell volume: 1291.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No