Information card for entry 4037251

Structure parameters

• Formula: C17 H25 N O2 Si
• Calculated formula: C17 H25 N O2 Si
• SMILES: C(C)[Si](CC)(CC)C(=O)C1=CC[C@H]2CCCC(=O)[C@@]12C#N.C(C)[Si](CC)(CC)C(=O)C1=CC[C@@H]2CCCC(=O)[C@]12C#N
• 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: 17.6278 ± 0.001 Å
• b: 8.0278 ± 0.0005 Å
• c: 12.3398 ± 0.0007 Å
• α: 90°
• β: 104.078 ± 0.004°
• γ: 90°
• Cell volume: 1693.79 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No