Information card for entry 7135474

Structure parameters

• Formula: C21 H22 N6 O
• Calculated formula: C21 H22 N6 O
• 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: 19.1428 ± 0.0019 Å
• b: 10.6392 ± 0.001 Å
• c: 19.4801 ± 0.0019 Å
• α: 90°
• β: 101.946 ± 0.003°
• γ: 90°
• Cell volume: 3881.5 ± 0.7 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• 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: 0.235
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.265
• Weighted residual factors for all reflections included in the refinement: 0.3328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No