Information card for entry 1517885

Structure parameters

• Formula: C24 H9 B F18
• Calculated formula: C24 H9 B F18
• SMILES: FC(F)(F)c1c(B(c2c(cc(cc2C(F)(F)F)C(F)(F)F)C(F)(F)F)c2ccccc2)c(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups
• Authors of publication: Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 308
• a: 15.56 ± 0.0011 Å
• b: 8.7136 ± 0.0006 Å
• c: 35.624 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4830 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No