Information card for entry 7052673

Structure parameters

• Formula: C29 H22 N2
• Calculated formula: C29 H22 N2
• SMILES: n1(c2c3c(c4c(c2nc1c1ccc(C)cc1)cccc4)cccc3)c1ccc(cc1)C
• 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: 13.726 ± 0.003 Å
• b: 8.4643 ± 0.0017 Å
• c: 19.367 ± 0.004 Å
• α: 90°
• β: 109.14 ± 0.03°
• γ: 90°
• Cell volume: 2125.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1475
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No