Information card for entry 7155665

Structure parameters

• Formula: C14 H12 N2 O
• Calculated formula: C14 H12 N2 O
• SMILES: O=C1N(c2ccccc2CC1)c1ncccc1
• Title of publication: A cascade C–H functionalization/cyclization reaction of N-arylpyridin-2-amines with α,β-unsaturated aldehydes for the synthesis of dihydroquinolinone derivatives under rhodium catalysis
• Authors of publication: Wu, Zi-Jun; Huang, Kenneth L.; Huang, Zhi-Zhen
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 14.8634 ± 0.0009 Å
• b: 9.0465 ± 0.0006 Å
• c: 16.6597 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2240.1 ± 0.3 ų
• Cell temperature: 169.9 K
• Ambient diffraction temperature: 169.9 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No