Information card for entry 1512371

Structure parameters

• Formula: C17 H15 N
• Calculated formula: C17 H15 N
• SMILES: Cc1ccc(cc1)c1cnc2c(c1)cc(cc2)C
• Title of publication: Aerobic Synthesis of Substituted Quinoline from Aldehyde and Aniline: Copper-Catalyzed Intermolecular C‒H Active and C‒C Formative Cyclization
• Authors of publication: Yan, Rulong; Liu, Xingxing; Pan, Congming; Zhou, Xiaoqiang; Li, Xiaoni; Kang, Xing; Huang, Guosheng
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 4876
• a: 17.1022 ± 0.0007 Å
• b: 7.4395 ± 0.0003 Å
• c: 20.7424 ± 0.001 Å
• α: 90°
• β: 98.282 ± 0.004°
• γ: 90°
• Cell volume: 2611.6 ± 0.2 ų
• Cell temperature: 295.4 ± 0.4 K
• Ambient diffraction temperature: 295.4 ± 0.4 K
• Number of distinct elements: 3
• 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: 0.1072
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No