Information card for entry 4027106

Structure parameters

• Formula: C31 H46 O7 Si
• Calculated formula: C31 H46 O7 Si
• SMILES: [Si](O[C@@](CC(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[C@H](c1occc1)CC(=O)c1ccccc1)(C)(C)C(C)(C)C.[Si](O[C@](CC(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[C@@H](c1occc1)CC(=O)c1ccccc1)(C)(C)C(C)(C)C
• Title of publication: Three-Component Glycolate Michael Reactions of Enolates, Silyl Glyoxylates, and α,β-Enones
• Authors of publication: Daniel C. Schmitt; Ericka J. Malow; Jeffrey S. Johnson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3246 - 3251
• a: 9.7554 ± 0.0003 Å
• b: 10.4301 ± 0.0003 Å
• c: 16.6303 ± 0.0007 Å
• α: 77.186 ± 0.003°
• β: 81.132 ± 0.003°
• γ: 70.517 ± 0.003°
• Cell volume: 1549.58 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No