Information card for entry 4037246

Structure parameters

• Formula: C17 H25 N O2 Si
• Calculated formula: C17 H25 N O2 Si
• SMILES: C[Si](C)(C(C)(C)C)C(=O)C1=CC[C@H]2[C@]1(C#N)C(=O)CCC2.C[Si](C)(C(C)(C)C)C(=O)C1=CC[C@@H]2[C@@]1(C#N)C(=O)CCC2
• 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: 19.146 ± 0.014 Å
• b: 7.452 ± 0.006 Å
• c: 12.716 ± 0.009 Å
• α: 90°
• β: 104.661 ± 0.015°
• γ: 90°
• Cell volume: 1755 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No