Information card for entry 7718368

Structure parameters

• Chemical name: 2-isocyanobiphenyl?boron tribromide
• Formula: C13 H9 B Br3 N
• Calculated formula: C13 H9 B Br3 N
• Title of publication: C-C bond-forming reactions of 2-isocyanobiphenyl·BX₃ adducts: spontaneous construction of polycyclic heteroaromatics.
• Authors of publication: Kuo, Yu-Tsen; Yao, Chia-Yu; Liu, Yi-Hung; Cheng, Mu-Jeng; Farrell, Jeffrey M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 7189 - 7193
• a: 9.0581 ± 0.0004 Å
• b: 10.2611 ± 0.0005 Å
• c: 15.6575 ± 0.0007 Å
• α: 90°
• β: 96.2352 ± 0.0013°
• γ: 90°
• Cell volume: 1446.69 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0244
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No