Information card for entry 7052672

Structure parameters

• Formula: C28 H20 N2
• Calculated formula: C28 H20 N2
• SMILES: n1c2c(n(c3ccccc3)c1c1ccc(cc1)C)c1c(c3c2cccc3)cccc1
• Title of publication: Phenanthroimidazole-derivative semiconductors as functional layer in high performance OLEDs
• Authors of publication: Yuan, Yang; Li, Di; Zhang, Xueqiang; Zhao, Xingjia; Liu, Yu; Zhang, Jingying; Wang, Yue
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 1534
• a: 10.527 ± 0.002 Å
• b: 18.843 ± 0.004 Å
• c: 20.461 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4058.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1638
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No