Information card for entry 7237565

Structure parameters

• Formula: C13 H8 N0.67
• Calculated formula: C13 H8 N0.666667
• Title of publication: Nondoped blue fluorescent organic light-emitting diodes based on benzonitrile-anthracene derivative with 10.06% external quantum efficiency and low efficiency roll-off
• Authors of publication: Liu, Wei; Ying, Shian; Guo, Runda; Qiao, Xianfeng; Leng, Panpan; Zhang, Qing; Wang, Yaxiong; Ma, Dongge; Wang, Lei
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 1014
• a: 33.7852 ± 0.0009 Å
• b: 9.1188 ± 0.0002 Å
• c: 8.659 ± 0.0003 Å
• α: 90°
• β: 95.866 ± 0.003°
• γ: 90°
• Cell volume: 2653.7 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No