Information card for entry 4037818

Structure parameters

• Formula: C15 H11 N O
• Calculated formula: C15 H11 N O
• SMILES: O=n1c(c2ccccc2)ccc2c1cccc2
• Title of publication: Visible-Light Promoted C2 Selective Arylation of Quinoline and Pyridine N-Oxides with Diaryliodonium Tetrafluoroborate.
• Authors of publication: Li, Dazhi; Liang, Ce; Jiang, Zaixing; Zhang, JunZheng; Zhuo, Wang-Tao; Zou, Fan-Yue; Wang, Wan-Peng; Gao, Guo-Lin; Song, Jinzhu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 6.5997 ± 0.0003 Å
• b: 7.7561 ± 0.0004 Å
• c: 21.4326 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1097.09 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No