Information card for entry 1572200

Structure parameters

• Formula: C9 H20 B3 N
• Calculated formula: C9 H20 B3 N
• Title of publication: Triborane (B₃H₇)-mediated regioselective substitution reactions of pyridine derivatives.
• Authors of publication: Fan, Zi-Heng; Kang, Jia-Xin; Jia, Sihan; Pan, Qiao-Jing; Cao, Lei; Chen, Xi-Meng; Xu, Cong-Qiao; Ma, Yan-Na; Chen, Xuenian
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 13923 - 13929
• a: 8.9799 ± 0.0003 Å
• b: 8.8926 ± 0.0003 Å
• c: 15.2066 ± 0.0004 Å
• α: 90°
• β: 105.554 ± 0.003°
• γ: 90°
• Cell volume: 1169.85 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No