Information card for entry 4037248

Structure parameters

• Formula: C16 H23 N O2 Si
• Calculated formula: C16 H23 N O2 Si
• SMILES: C(#N)[C@@]12C(=O)CC[C@@H]1CC=C2C(=O)[Si](C)(C)C(C)(C)C.C(#N)[C@]12C(=O)CC[C@H]1CC=C2C(=O)[Si](C)(C)C(C)(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: 7.1377 ± 0.001 Å
• b: 12.326 ± 0.0018 Å
• c: 18.63 ± 0.003 Å
• α: 90°
• β: 94.224 ± 0.009°
• γ: 90°
• Cell volume: 1634.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1242
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No