Information card for entry 7116200

Structure parameters

• Formula: C21 H22 F7 N2 O3
• Calculated formula: C21 H22 F7 N2 O3
• Title of publication: Combination of fluoroalkylation and Kornblum-DeLaMare reaction: a new strategy for the construction of (Z)-β-perfluoroalkyl enaminones.
• Authors of publication: Liu, Chunmei; Shi, Erbo; Xu, Feng; Luo, Qiang; Wang, Hongxiang; Chen, Jijun; Wan, Xiaobing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1214 - 1217
• a: 26.437 ± 0.009 Å
• b: 10.311 ± 0.003 Å
• c: 9.126 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2487.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1706
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.2433
• Weighted residual factors for all reflections included in the refinement: 0.2747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No