Information card for entry 7251585

Structure parameters

• Formula: C17 H18 B N3
• Calculated formula: C17 H18 B N3
• Title of publication: Electrochemical radical borylation of N-heterocycles with NHC-boranes: efficient access to the B–N bond
• Authors of publication: Chang, Hong; Zhuang, Shiyi; Wang, Jie; Dong, Mengmeng; Liu, Chenjiang; Jin, Weiwei
• Journal of publication: Green Chemistry
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 3541 - 3548
• a: 15.575 ± 0.005 Å
• b: 8.029 ± 0.003 Å
• c: 25.514 ± 0.008 Å
• α: 90°
• β: 102.777 ± 0.006°
• γ: 90°
• Cell volume: 3111.6 ± 1.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.156
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No