Information card for entry 4029964

Structure parameters

• Formula: C19 H19 N O4
• Calculated formula: C19 H19 N O4
• SMILES: O(c1cc(ccc1OC)/C(=C/c1ccccc1)N1C(=O)OCC1)C
• Title of publication: Preparation of (Z)-α,β-Disubstituted Enamides via Palladium-Catalyzed Addition of Boronic Acids to Ynamides.
• Authors of publication: Yang, Yuanfa; Wang, Lina; Zhang, Fang; Zhu, Gangguo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 19
• Pages of publication: 9319 - 9324
• a: 12.4071 ± 0.0007 Å
• b: 12.8438 ± 0.0007 Å
• c: 11.3777 ± 0.0006 Å
• α: 90°
• β: 115.763 ± 0.003°
• γ: 90°
• Cell volume: 1632.86 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No