Information card for entry 7223418

Structure parameters

• Formula: C17 H15 N
• Calculated formula: C17 H15 N
• SMILES: c12ccccc1c(c1ccccc1)c(CC)cn2
• Title of publication: Copper Promoted Synthesis of Substituted Quinolines from Benzylic Azides and Alkynes
• Authors of publication: Luo, Ching-Zong; Parthasarathy, Gandeepan; Wu, Yun-Ching; Chen, Wei-Chen; Cheng, Chien Hong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.1521 ± 0.0007 Å
• b: 25.648 ± 0.002 Å
• c: 18.4479 ± 0.0013 Å
• α: 90°
• β: 97.064 ± 0.004°
• γ: 90°
• Cell volume: 3827.9 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0707
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No