Information card for entry 1517881

Structure parameters

• Formula: C26 H24 F18 Li2 O2
• Calculated formula: C26 H24 F18 Li2 O2
• SMILES: FC1([F][Li]234([F]C(F)(F)c5[c]62c(cc(c5)C(F)(F)F)C([F][Li]246([F]C(F)(F)c4[c]32c1cc(c4)C(F)(F)F)[O](CC)CC)(F)F)[O](CC)CC)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: 9.0486 ± 0.0005 Å
• b: 12.7853 ± 0.0007 Å
• c: 14.6892 ± 0.0008 Å
• α: 84.024 ± 0.002°
• β: 74.906 ± 0.002°
• γ: 69.739 ± 0.002°
• Cell volume: 1539.05 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0557
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0614
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No