Information card for entry 7223415

Structure parameters

• Formula: C21 H16 N O0.5
• Calculated formula: C21 H16 N O0.5
• SMILES: O.n1c2ccccc2c(c(c1)c1ccccc1)c1ccccc1
• 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: 15.8693 ± 0.0008 Å
• b: 9.9218 ± 0.0005 Å
• c: 20.1836 ± 0.001 Å
• α: 90°
• β: 102.424 ± 0.001°
• γ: 90°
• Cell volume: 3103.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No