Information card for entry 7152091

Structure parameters

• Formula: C19 H27 N O4 Si
• Calculated formula: C19 H27 N O4 Si
• SMILES: [Si](O[C@H](c1ccccc1C#N)[C@H](C(=O)C)C(=O)OC(C)(C)C)(C)(C)C.[Si](O[C@@H](c1ccccc1C#N)[C@@H](C(=O)C)C(=O)OC(C)(C)C)(C)(C)C
• Title of publication: Multi-component, regio-selective aldol addition of β-ketoesters to aldehydes: scope and applications.
• Authors of publication: More, Vijaykumar; Di Mola, Antonia; Croce, Gianluca; Tedesco, Consiglia; Petronzi, Carmen; Peduto, Antonella; De Caprariis, Paolo; Filosa, Rosanna; Massa, Antonio
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 8483 - 8488
• a: 9.8157 ± 0.0004 Å
• b: 15.5367 ± 0.0005 Å
• c: 14.1068 ± 0.0007 Å
• α: 90°
• β: 98.289 ± 0.004°
• γ: 90°
• Cell volume: 2128.86 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No