Information card for entry 4109060

Structure parameters

• Formula: C19 H33 N O4 Si
• Calculated formula: C19 H33 N O4 Si
• SMILES: [Si](CC[C@](C#N)(C(=O)OC(C)(C)C)/C=C/C(=O)OC(C)(C)C)(C)(C)C
• Title of publication: New, Chiral Phase Transfer Catalysts for Effecting Asymmetric Conjugate Additions of α-Alkyl-α-cyanoacetates to Acetylenic Esters
• Authors of publication: Xisheng Wang; Masanori Kitamura; Keiji Maruoka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 1038 - 1039
• a: 6.32501 ± 0.00011 Å
• b: 15.6014 ± 0.0003 Å
• c: 22.1928 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2189.96 ± 0.07 ų
• Cell temperature: 133.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No