Information card for entry 1517283

Structure parameters

• Formula: C21 H29 N O2 Si
• Calculated formula: C21 H29 N O2 Si
• SMILES: [Si](O[C@H]1CCC(=O)N[C@@H]1c1cc2ccccc2cc1)(C)(C)C(C)(C)C.[Si](O[C@@H]1CCC(=O)N[C@H]1c1cc2ccccc2cc1)(C)(C)C(C)(C)C
• Title of publication: Diastereoconvergent Synthesis of trans-5-Hydroxy-6-Substituted-2-Piperidinones by Addition-Cyclization-Deprotection Process.
• Authors of publication: Si, Chang-Mei; Huang, Wei; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 4328 - 4331
• a: 14.9925 ± 0.0014 Å
• b: 10.25 ± 0.0009 Å
• c: 14.5255 ± 0.0013 Å
• α: 90°
• β: 114.65 ± 0.002°
• γ: 90°
• Cell volume: 2028.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No