Information card for entry 7709012

Structure parameters

• Formula: C29 H16 B F10 N
• Calculated formula: C29 H16 B F10 N
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B](C#[N]c1c(C)cccc1C)(/C=C/c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
• 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: 8.8271 ± 0.0007 Å
• b: 11.0748 ± 0.0008 Å
• c: 14.0033 ± 0.0009 Å
• α: 103.662 ± 0.002°
• β: 107.548 ± 0.002°
• γ: 100.309 ± 0.002°
• Cell volume: 1221.19 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No