Information card for entry 4031357

Structure parameters

• Formula: C19 H15 N O
• Calculated formula: C19 H15 N O
• SMILES: n1c(c2ccccc2)ccc(C(=O)c2ccccc2)c1C
• Title of publication: Cu-Catalyzed Three-Component Cascade Annulation Reaction: An Entry to Functionalized Pyridines.
• Authors of publication: Jiang, Huanfeng; Yang, Jidan; Tang, Xiaodong; Li, Jianxiao; Wu, Wanqing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 17
• Pages of publication: 8763 - 8771
• a: 12.797 ± 0.003 Å
• b: 7.8816 ± 0.0016 Å
• c: 15.067 ± 0.003 Å
• α: 90°
• β: 100.95 ± 0.03°
• γ: 90°
• Cell volume: 1492 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No