Information card for entry 4037249

Structure parameters

• Formula: C20 H23 N O2 Si
• Calculated formula: C20 H23 N O2 Si
• SMILES: C[Si](C)(C)C(=O)C1=CC[C@H]2[C@]1(C#N)C(=O)c1ccccc1C2(C)C
• Title of publication: Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.
• Authors of publication: Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 22
• Pages of publication: 10759 - 10768
• a: 26.426 ± 0.012 Å
• b: 26.426 ± 0.012 Å
• c: 7.039 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4257 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.2455
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No