Information card for entry 7151933

Structure parameters

• Formula: C21 H19 N O4
• Calculated formula: C21 H19 N O4
• SMILES: C(=O)(C1=CN(C=C(C(=O)OC)C1c1ccccc1)c1ccccc1)OC
• 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: 19.404 ± 0.004 Å
• b: 8.0536 ± 0.0016 Å
• c: 11.589 ± 0.002 Å
• α: 90°
• β: 102.32 ± 0.03°
• γ: 90°
• Cell volume: 1769.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No