Information card for entry 7155519

Structure parameters

• Formula: C14 H17 N3
• Calculated formula: C14 H17 N3
• SMILES: n1(nnc(c1)c1ccccc1)C(=C)CCCC
• Title of publication: N(1)-Selective alkenylation of 1-sulfonyl-1,2,3-triazoles with alkynes via gold catalysis.
• Authors of publication: Sun, Chenyang; Yuan, Xiao; Li, Yan; Li, Xiaoxiao; Zhao, Zhigang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 2721 - 2724
• a: 5.8794 ± 0.0004 Å
• b: 7.4664 ± 0.0007 Å
• c: 15.5877 ± 0.0015 Å
• α: 92.948 ± 0.008°
• β: 93.41 ± 0.007°
• γ: 110.44 ± 0.008°
• Cell volume: 638.14 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No