Information card for entry 7111861

Structure parameters

• Formula: C11 H10 F3 N O
• Calculated formula: C11 H10 F3 N O
• Title of publication: Metal-free cascade radical cyclization of 1,6-enynes with aldehydes
• Authors of publication: Jian-Yi Luo; Hui-Liang Hua; Zi-Sheng Chen; Zhao-Zhao Zhou; Yan-Fang Yang; Ping-Xin Zhou; Yu-Tao He; Xue-Yuan Liu; Yong-Min Liang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1564
• a: 8.6562 ± 0.0009 Å
• b: 19.9373 ± 0.0018 Å
• c: 12.6769 ± 0.0015 Å
• α: 90°
• β: 102.331 ± 0.012°
• γ: 90°
• Cell volume: 2137.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.2245
• Residual factor for significantly intense reflections: 0.1012
• Weighted residual factors for significantly intense reflections: 0.2881
• Weighted residual factors for all reflections included in the refinement: 0.3854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No