Information card for entry 4514591

Structure parameters

• Formula: C59 H37 N3
• Calculated formula: C59 H37 N3
• SMILES: n1(c2ccccc2)c2c(nc1c1ccc(c3c4c(c(c5c3cccc5)c3cc(n5c6c(c7c5cccc7)cccc6)ccc3)cccc4)cc1)c1c(c3c2cccc3)cccc1
• Title of publication: Efficient Deep-Blue Fluorescent OLEDs with a High Exciton Utilization Efficiency from a Fully Twisted Phenanthroimidazole-Anthracene Emitter.
• Authors of publication: Xu, Yuwei; Liang, Xiaoming; Liang, Yiqian; Guo, Xiaomin; Hanif, Muddasir; Zhou, Jiadong; Zhou, Xuehong; Wang, Cong; Yao, Jingwen; Zhao, Ruiyang; Hu, Dehua; Qiao, Xianfeng; Ma, Dongge; Ma, Yuguang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 34
• Pages of publication: 31139 - 31146
• a: 8.9146 ± 0.0003 Å
• b: 13.5124 ± 0.0004 Å
• c: 35.9562 ± 0.0008 Å
• α: 100.017 ± 0.002°
• β: 91.151 ± 0.002°
• γ: 103.317 ± 0.003°
• Cell volume: 4142.3 ± 0.2 ų
• Cell temperature: 299.8 ± 0.6 K
• Ambient diffraction temperature: 299.8 ± 0.6 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: 0.1131
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No