Information card for entry 1513544

Structure parameters

• Formula: C29 H45 N O4 S Si
• Calculated formula: C29 H45 N O4 S Si
• SMILES: c1([C@H]([C@@](C(=O)OC(C)(C)C)(c2ccccc2)O[Si](C)(C)C(C)(C)C)NS(C(C)(C)C)=O)ccccc1
• Title of publication: Efficient synthesis of α-quaternary α-hydroxy-β-amino esters via silyl glyoxylate-mediated three-component reactions.
• Authors of publication: Jiang, Jiu-Long; Yao, Ming; Lu, Chong-Dao
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 318 - 321
• a: 14.824 ± 0.003 Å
• b: 11.994 ± 0.003 Å
• c: 17.503 ± 0.004 Å
• α: 90°
• β: 90.27 ± 0.003°
• γ: 90°
• Cell volume: 3112 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.2318
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.2266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No