Information card for entry 7128155

Structure parameters

• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: O(c1ccc(/C(=C/c2nccc3c2cccc3)O)cc1)C
• Title of publication: Zinc-catalyzed C-H alkenylation of quinoline <i>N</i>-oxides with ynones: a new strategy towards quinoline-enol scaffolds.
• Authors of publication: Hu, Yan; Nan, Jiang; Gong, Xue; Zhang, Jiawen; Yin, Jiacheng; Ma, Yangmin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 40
• Pages of publication: 4930 - 4933
• a: 12.6333 ± 0.0012 Å
• b: 5.571 ± 0.0005 Å
• c: 20.8717 ± 0.0018 Å
• α: 90°
• β: 101.874 ± 0.003°
• γ: 90°
• Cell volume: 1437.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1368
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No