Information card for entry 7718367

Structure parameters

• Chemical name: 2-isocyanobiphenyl?boron trichloride
• Formula: C13 H9 B Cl3 N
• Calculated formula: C13 H9 B Cl3 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: 9.3124 ± 0.0006 Å
• b: 9.8992 ± 0.0006 Å
• c: 14.9871 ± 0.0008 Å
• α: 90°
• β: 98.038 ± 0.002°
• γ: 90°
• Cell volume: 1368.02 ± 0.14 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: 0.0371
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No