Information card for entry 7234911

Structure parameters

• Formula: C42 H40 B N
• Calculated formula: C42 H40 B N
• SMILES: B(c1c(c2c(cccc2)N(c2ccccc2)c2ccccc2)cccc1)(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
• Title of publication: A highly twisted triarylborane-based biphenyl as an efficient host for blue and green phosphorescent OLEDs
• Authors of publication: Chen Wang; Yi Yuan; Sheng-Yong Li; Zuo-Bang Sun; Zuo-Quan Jiang; Cui-Hua Zhao
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 7607 - 7613
• a: 10.788 ± 0.01 Å
• b: 23.33 ± 0.02 Å
• c: 13.186 ± 0.012 Å
• α: 90°
• β: 97.821 ± 0.009°
• γ: 90°
• Cell volume: 3288 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No