Information card for entry 7709015

Structure parameters

• Formula: C39 H34 B F10 N3
• Calculated formula: C39 H34 B F10 N3
• SMILES: N(C1=CC(=[B](C#N)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)N(C(C1)Cc1ccccc1)c1c(C)cccc1C)(C(C)C)C(C)C
• 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: 9.2344 ± 0.0008 Å
• b: 18.7674 ± 0.0016 Å
• c: 20.7528 ± 0.0019 Å
• α: 90°
• β: 100.808 ± 0.003°
• γ: 90°
• Cell volume: 3532.8 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.189
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No