Information card for entry 4106336

Structure parameters

• Formula: C23 H37 B2 F6 K2 N3
• Calculated formula: C23 H37 B2 F6 K2 N3
• SMILES: [K+].[K+].F[B](F)(F)c1c2nn(nc2c(cc1)[B](F)(F)F)C(CCCCCCCC)CCCCCCCC
• Title of publication: High-Performance Electron-Transporting Polymers Derived from a Heteroaryl Bis(trifluoroborate)
• Authors of publication: Jin-Kyun Lee; Michael C. Gwinner; Reinhard Berger; Carol Newby; Rudolf Zentel; Richard H. Friend; Henning Sirringhaus; Christopher K. Ober
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 9949 - 9951
• a: 7.0412 ± 0.0004 Å
• b: 10.3913 ± 0.0007 Å
• c: 40.539 ± 0.003 Å
• α: 97.167 ± 0.002°
• β: 90.431 ± 0.002°
• γ: 109.311 ± 0.001°
• Cell volume: 2773.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No