Information card for entry 7221894

Structure parameters

• Formula: C48 H30 N4
• Calculated formula: C48 H30 N4
• SMILES: c1c(cccc1c1nc2c3c(c4c(c2n1c1ccccc1)cccc4)cccc3)c1n(c2ccccc2)c2c(c3c(c4c2cccc4)cccc3)n1
• Title of publication: Structurally simple phenanthroimidazole-based bipolar hosts for high-performance green and red electroluminescent devices
• Authors of publication: Wang, Kai; Wang, Shipan; Wei, Jinbei; Miao, Yang; Zhang, Zhenyu; Zhang, Zuolun; Liu, Yu; Wang, Yue
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 24.996 ± 0.005 Å
• b: 9.4441 ± 0.0019 Å
• c: 14.619 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3451 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No