Information card for entry 4027105

Structure parameters

• Formula: C28 H42 O5 Si
• Calculated formula: C28 H42 O5 Si
• SMILES: [Si]1(OC2=C(C[C@H]([C@@H]([C@H]2[C@@H]1C)C(=O)OCC)C(=O)OCC)c1ccccc1)(C(C)(C)C)C(C)(C)C.[Si]1(OC2=C(C[C@@H]([C@H]([C@@H]2[C@H]1C)C(=O)OCC)C(=O)OCC)c1ccccc1)(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of Silyloxy Dienes by Silylene Transfer to Divinyl Ketones: Application to the Asymmetric Synthesis of Substituted Cyclohexanes
• Authors of publication: Christian C. Ventocilla; K. A. Woerpel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3277 - 3283
• a: 11.2829 ± 0.001 Å
• b: 12.0507 ± 0.0011 Å
• c: 12.1302 ± 0.0011 Å
• α: 115.864 ± 0.0014°
• β: 100.482 ± 0.0015°
• γ: 103.034 ± 0.0015°
• Cell volume: 1370 ± 0.2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No