Information card for entry 7151898

Structure parameters

• Formula: C14 H21 N O Si
• Calculated formula: C14 H21 N O Si
• SMILES: [Si](/C=C\1[C@@]2(C(=O)CCC[C@@H]2CC1)C#N)(C)(C)C.[Si](/C=C\1[C@]2(C(=O)CCC[C@H]2CC1)C#N)(C)(C)C
• Title of publication: Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application
• Authors of publication: Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 13
• Pages of publication: 4778
• a: 17.6183 ± 0.0011 Å
• b: 6.826 ± 0.0004 Å
• c: 25.7319 ± 0.0016 Å
• α: 90°
• β: 109.769 ± 0.001°
• γ: 90°
• Cell volume: 2912.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1407
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No