Information card for entry 7157685

Structure parameters

• Chemical name: 4-benzyl-3-(p-tolyl)-[1,2,3]triazolo[1,5-a]quinoline
• Formula: C24 H19 N3
• Calculated formula: C24 H19 N3
• SMILES: n12nnc(c1c(Cc1ccccc1)cc1c2cccc1)c1ccc(cc1)C
• Title of publication: Copper-catalyzed cross-coupling and sequential allene-mediated cyclization for the synthesis of 1,2,3-triazolo[1,5-<i>a</i>]quinolines.
• Authors of publication: Yang, Jianhua; Xiong, Shaoqi; Ren, Yongsheng; Xiao, Tiebo; Jiang, Yubo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 36
• Pages of publication: 7174 - 7182
• a: 18.4957 ± 0.0013 Å
• b: 7.8032 ± 0.0005 Å
• c: 25.76 ± 0.002 Å
• α: 90°
• β: 92.571 ± 0.007°
• γ: 90°
• Cell volume: 3714.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1387
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No