Information card for entry 1529883

Structure parameters

• Formula: C19 H17 N O2
• Calculated formula: C19 H17 N O2
• SMILES: O1C(=CC(=NC=C1C)c1ccccc1)c1ccc(OC)cc1
• Title of publication: Base-Promoted N-Pyridylation of Heteroarenes Using N-Propargyl Enaminones as Equivalents of Pyridine Scaffolds.
• Authors of publication: Cheng, Guolin; Weng, Yunxiang; Yang, Xifa; Cui, Xiuling
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 3790 - 3793
• a: 7.3862 ± 0.0003 Å
• b: 11.9598 ± 0.0005 Å
• c: 17.2782 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1526.31 ± 0.11 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No