Information card for entry 4118440

Structure parameters

• Formula: C21 H34 O Si
• Calculated formula: C21 H34 O Si
• SMILES: [Si]1(O[C@@H](C([C@@H]1C=C)(C)C)c1ccccc1)(C(C)(C)C)C(C)(C)C.[Si]1(O[C@H](C([C@H]1C=C)(C)C)c1ccccc1)(C(C)(C)C)C(C)(C)C
• Title of publication: Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer
• Authors of publication: Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 12482 - 12484
• a: 14.4187 ± 0.0007 Å
• b: 9.2805 ± 0.0005 Å
• c: 15.6456 ± 0.0008 Å
• α: 90°
• β: 97.2292 ± 0.0006°
• γ: 90°
• Cell volume: 2076.94 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No