Information card for entry 1529884

Structure parameters

• Formula: C26 H20 N2
• Calculated formula: C26 H20 N2
• SMILES: n1c(cc(c(c1n1ccc2c1cccc2)C)c1ccccc1)c1ccccc1
• 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: 21.3348 ± 0.0007 Å
• b: 10.673 ± 0.0002 Å
• c: 18.3612 ± 0.0006 Å
• α: 90°
• β: 110.777 ± 0.004°
• γ: 90°
• Cell volume: 3909.1 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No