Information card for entry 4132322

Structure parameters

• Formula: C31 H48 O5 Si
• Calculated formula: C31 H48 O5 Si
• 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: 8.5028 ± 0.0004 Å
• b: 12.2706 ± 0.0005 Å
• c: 15.7004 ± 0.0008 Å
• α: 72.017 ± 0.004°
• β: 79.272 ± 0.004°
• γ: 85.399 ± 0.004°
• Cell volume: 1530.38 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 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: 0.1673
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.2626
• Weighted residual factors for all reflections included in the refinement: 0.3077
• 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: Yes
• Has Fobs: No