Information card for entry 1518195

Structure parameters

• Formula: C16 H19 N O3
• Calculated formula: C16 H19 N O3
• SMILES: O=C(C(/C=C(NC(=O)C)/c1ccccc1)(C)C(=O)C)C
• Title of publication: Direct oxidative coupling of enamides and 1,3-dicarbonyl compounds: a facile and versatile approach to dihydrofurans, furans, pyrroles, and dicarbonyl enamides.
• Authors of publication: Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 5992 - 5995
• a: 37.202 ± 0.003 Å
• b: 8.9299 ± 0.001 Å
• c: 9.4735 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3147.2 ± 0.5 ų
• Cell temperature: 294.39 ± 0.1 K
• Ambient diffraction temperature: 294.39 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1662
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No