Information card for entry 4032887

Structure parameters

• Formula: C29 H37 N O5 S Si
• Calculated formula: C29 H37 N O5 S Si
• SMILES: N(=C(\OC)[C@@](O)([C@@H](O[Si](C)(C)c1ccccc1)c1ccccc1)c1cc(ccc1)C)/S(=O)(=O)C(C)(C)C
• Title of publication: Reaction of Silyllithium, α-Keto N-tert-Butanesulfinyl Imidates and Aldehydes for Asymmetric Synthesis of α-Substituted β-(Silyloxy)-α-hydroxy Acid Derivatives.
• Authors of publication: Huang, Wei; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 19
• Pages of publication: 10748 - 10755
• a: 6.734 ± 0.007 Å
• b: 18.45 ± 0.019 Å
• c: 12.022 ± 0.012 Å
• α: 90°
• β: 98.661 ± 0.015°
• γ: 90°
• Cell volume: 1477 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1014
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No