Information card for entry 7151897

Structure parameters

• Formula: C16 H27 N O Si
• Calculated formula: C16 H27 N O Si
• SMILES: [Si](/C=C1/[C@]2([C@@H](O)CCCCC[C@@H]2CC1)C#N)(C)(C)C.[Si](/C=C1/[C@@]2([C@H](O)CCCCC[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: 10.5629 ± 0.0009 Å
• b: 12.6906 ± 0.001 Å
• c: 12.5122 ± 0.0009 Å
• α: 90°
• β: 100.65 ± 0.005°
• γ: 90°
• Cell volume: 1648.4 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0836
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.758
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No