Information card for entry 1574807

Structure parameters

• Formula: C80 H86 B2 F8 N4 Sb
• Calculated formula: C80 H86 B2 F8 N4 Sb
• SMILES: B1(c2ccc3cccc4B(c5ccc6cccc1c6c5c2c34)c1n(cc[n+]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1n(cc[n+]1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C.[Sb](F)(F)(F)(F)(F)[F-].Fc1ccccc1F
• Title of publication: Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.
• Authors of publication: Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 12510 - 12518
• a: 12.3898 ± 0.0006 Å
• b: 17.0733 ± 0.0008 Å
• c: 19.6357 ± 0.0009 Å
• α: 109.541 ± 0.002°
• β: 106.403 ± 0.002°
• γ: 93.078 ± 0.002°
• Cell volume: 3704.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No