Information card for entry 4118443

Structure parameters

• Formula: C21 H36 O2 Si
• Calculated formula: C21 H36 O2 Si
• SMILES: [Si]1(O[C@H](C(C[C@H](O)C1)(C)C)c1ccccc1)(C(C)(C)C)C(C)(C)C.[Si]1(O[C@@H](C(C[C@@H](O)C1)(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: 10.1036 ± 0.0008 Å
• b: 13.2601 ± 0.0011 Å
• c: 16.4985 ± 0.0013 Å
• α: 92.8478 ± 0.001°
• β: 104.675 ± 0.001°
• γ: 94.8505 ± 0.001°
• Cell volume: 2124.8 ± 0.3 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No