Information card for entry 7709016

Structure parameters

• Formula: C48 H44 B Cl2 F10 N3
• Calculated formula: C47 H42 B F10 N3
• Title of publication: Formation of cyclic (boryl)iminomethane derivatives by insertion of isocyanides into the boron-carbon bond
• Authors of publication: Zhou, Haiyu; Wang, Jingjing; Meng, Yuxuan; Liu, Fei; Wang, Tongdao
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 12.158 ± 0.003 Å
• b: 24.328 ± 0.005 Å
• c: 15.731 ± 0.004 Å
• α: 90°
• β: 99.003 ± 0.006°
• γ: 90°
• Cell volume: 4595.6 ± 1.9 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No