Information card for entry 4032886

Structure parameters

• Formula: C19 H24 N2 O5 S
• Calculated formula: C19 H24 N2 O5 S
• SMILES: S(C(C)(C)C)(=O)NC[C@@]([C@H](c1ccc(cc1)N(=O)=O)O)(c1ccccc1)O
• 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: 11.812 ± 0.006 Å
• b: 6.112 ± 0.003 Å
• c: 14.148 ± 0.008 Å
• α: 90°
• β: 105.405 ± 0.006°
• γ: 90°
• Cell volume: 984.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No