Information card for entry 7135475

Structure parameters

• Formula: C17 H21 N5 O2
• Calculated formula: C17 H21 N5 O2
• Title of publication: Lewis acid-switched regiodivergent <i>N</i>¹/<i>N</i>²-alkylation of ben-zotriazoles with α-hydroxyl diazo compounds.
• Authors of publication: Jiang, Jingjing; Zhang, Jinghan; Huang, Nan; Xu, Haocheng; Liu, Xintao; Li, Jiayin; Zhou, Xinlong; Zhao, Jingjing; Li, Pan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 10
• Pages of publication: 3279 - 3282
• a: 19.85 ± 0.002 Å
• b: 9.741 ± 0.002 Å
• c: 19.851 ± 0.003 Å
• α: 90°
• β: 112.07 ± 0.007°
• γ: 90°
• Cell volume: 3557.1 ± 1 ų
• Cell temperature: 296.3 K
• Ambient diffraction temperature: 296.3 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1531
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.2181
• 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