Information card for entry 4105529

Structure parameters

• Formula: C24 H38 O3 Si
• Calculated formula: C24 H38 O3 Si
• SMILES: [Si]1(OC(=O)CC=C([C@H]([C@@H](O1)[C@@H](c1ccccc1)C)C)C)(C(C)(C)C)C(C)(C)C.[Si]1(OC(=O)CC=C([C@@H]([C@H](O1)[C@H](c1ccccc1)C)C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Silylene-Mediated Polarity Reversal of Dienoates: Additions of Dienoates to Aldehydes at the δ-Position To Form trans-Dioxasilacyclononenes
• Authors of publication: Christian C. Ventocilla; K. A. Woerpel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 406 - 408
• a: 9.5046 ± 0.0006 Å
• b: 10.9462 ± 0.0006 Å
• c: 11.6723 ± 0.0007 Å
• α: 76.749 ± 0.001°
• β: 84.122 ± 0.001°
• γ: 88.032 ± 0.001°
• Cell volume: 1175.76 ± 0.12 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0379
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No