Information card for entry 7151934

Structure parameters

• Formula: C19 H13 N3
• Calculated formula: C19 H13 N3
• SMILES: c1(ccccc1)N1C=C(C#N)C(C(=C1)C#N)c1ccccc1
• Title of publication: Palladium-assisted multicomponent cyclization of aromatic aldehydes, arylamines and terminal olefins under molecular oxygen: an assembly of 1,4-dihydropyridines.
• Authors of publication: Jiang, Huanfeng; Ji, Xiaochen; Li, Yibiao; Chen, Zhengwang; Wang, Azhong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 5358 - 5361
• a: 13.657 ± 0.003 Å
• b: 8.1149 ± 0.0016 Å
• c: 13.751 ± 0.003 Å
• α: 90°
• β: 94.69 ± 0.03°
• γ: 90°
• Cell volume: 1518.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No