Information card for entry 1514453

Structure parameters

• Formula: C29 H30 O3 Si
• Calculated formula: C29 H30 O3 Si
• SMILES: [Si]1(OC(CC\1=C(\c1ccccc1)/C=C/C(=O)OCc1ccc(cc1)c1ccccc1)C)(C)C
• Title of publication: Regio- and stereoselective trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(PCy3)2
• Authors of publication: Zhao, Jinbo; Liu, Shasha; Marino, Nadia; Clark, Daniel A.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 1547
• a: 25.2196 ± 0.0007 Å
• b: 11.8584 ± 0.0004 Å
• c: 8.5478 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2556.34 ± 0.14 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No