Information card for entry 7233883

Structure parameters

• Formula: C49 H33 N3
• Calculated formula: C49 H33 N3
• SMILES: n1(c2ccccc2c2c1ccc(c2)c1ccccc1c1ccccc1c1ccc(n2c(nc3c2cccc3)c2ccccc2)cc1)c1ccccc1
• Title of publication: Highly twisted biphenyl-linked carbazole-benzimidazole hybrid bipolar host materials for efficient PhOLEDs
• Authors of publication: Shuo-Hsien Cheng; Wen-Yi Hung; Ming-Hung Cheng; Hsiao-Fan Chen; Atul Chaskar; Gene-Hsiang Lee; Shu-Hua Chou; Ken-Tsung Wong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 8554 - 8563
• a: 11.8108 ± 0.0002 Å
• b: 11.8531 ± 0.0002 Å
• c: 14.4264 ± 0.0002 Å
• α: 86.6414 ± 0.001°
• β: 72.896 ± 0.0009°
• γ: 66.2337 ± 0.0009°
• Cell volume: 1762.45 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No