Information card for entry 7251813

Structure parameters

• Formula: C13 H19 B N2 O4
• Calculated formula: C13 H19 B N2 O4
• Title of publication: β-Boron or β-Silicon Effect Enables a Regioselective Ni-Catalyzed Hydrocyanation of Internal Alkynes
• Authors of publication: Wang, Honggen; Chen, Zhi-Hao; Lin, Shuang; Kang, Xinman; Huang, Jiawu; Qian, Jiasheng; Li, Qingjiang
• Journal of publication: Green Chemistry
• Year of publication: 2026
• a: 7.1742 ± 0.0002 Å
• b: 20.222 ± 0.0004 Å
• c: 10.1873 ± 0.0002 Å
• α: 90°
• β: 100.812 ± 0.002°
• γ: 90°
• Cell volume: 1451.7 ± 0.06 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No