Information card for entry 4032216

Structure parameters

• Formula: C23 H29 N O6 S Si
• Calculated formula: C23 H29 N O6 S Si
• SMILES: S(=O)(=O)(N1[C@H](O[Si](C)(C)C)C[C@H]([C@@]2(CCCC2=O)C1=O)c1ccco1)c1ccc(cc1)C
• Title of publication: Control of Activation Mode To Achieve Diastereodivergence in Asymmetric Syntheses of Chiral Spiropiperidinone Derivatives.
• Authors of publication: Li, Xiang; Huang, Wei; Liu, Yan-Qing; Kang, Jing-Wen; Xia, Dan; He, Gu; Peng, Cheng; Han, Bo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 1
• Pages of publication: 397 - 406
• a: 11.1118 ± 0.0009 Å
• b: 21.422 ± 0.0018 Å
• c: 10.2188 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2432.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No