Information card for entry 4132324

Structure parameters

• Formula: C23 H40 O3 Si
• Calculated formula: C23 H40 O3 Si
• SMILES: C#C[C@@H]1CC[C@]2(CCC[C@@H]1[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC
• Title of publication: Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.
• Authors of publication: Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 25
• Pages of publication: 7769 - 7772
• a: 9.1557 ± 0.0014 Å
• b: 11.8598 ± 0.0019 Å
• c: 21.294 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2312.2 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No