Information card for entry 7120117

Structure parameters

• Formula: C27 H24 F3 N O2
• Calculated formula: C27 H24 F3 N O2
• SMILES: FC(F)(F)c1ccc(/C(=C/C(=O)c2ccccc2)N(C(=O)c2ccccc2)C(C)(C)C)cc1
• Title of publication: Gold-catalyzed Oxidative Hydroacylation Reactions of -Imino Alkynes with Aldehydes and O2
• Authors of publication: Liu, Rai-Shung; Hsu, Yu-Chen; Lai, Jing-He
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 14.9856 ± 0.0013 Å
• b: 10.6591 ± 0.0008 Å
• c: 14.4299 ± 0.0013 Å
• α: 90°
• β: 93.353 ± 0.004°
• γ: 90°
• Cell volume: 2301 ± 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: 0.0947
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No