Information card for entry 1517401

Structure parameters

• Formula: C15 H19 N O3 Si
• Calculated formula: C15 H19 N O3 Si
• SMILES: [Si]1(/C(=C(\c2ccc(cc2)N(=O)=O)C=C)CC(O1)C)(C)C
• Title of publication: Ethylene Transposition: Ruthenium Hydride Catalyzed Intramolecular trans-Silylvinylation of Internal Alkynes.
• Authors of publication: Liu, Shasha; Zhao, Jinbo; Kaminsky, Lauren; Wilson, Robert J.; Marino, Nadia; Clark, Daniel A.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 4456
• a: 11.6235 ± 0.0004 Å
• b: 10.0558 ± 0.0003 Å
• c: 12.9667 ± 0.0004 Å
• α: 90°
• β: 97.843 ± 0.002°
• γ: 90°
• Cell volume: 1501.42 ± 0.08 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No