Information card for entry 7236943

Structure parameters

• Chemical name: CPBPMCN
• Formula: C46 H28 N4
• Calculated formula: C46 H28 N4
• Title of publication: A novel bipolar D‒π‒A type phenanthroimidazole/carbazole hybrid material for high efficiency nondoped deep-blue organic light-emitting diodes with NTSC CIEy and low efficiency roll-off
• Authors of publication: Tan, Yu; Zhao, Zifeng; Shang, Liang; Liu, Yang; Wei, Chen; Li, Jiayi; Wei, Huibo; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 45
• Pages of publication: 11901
• a: 10.901 ± 0.0004 Å
• b: 12.5104 ± 0.0004 Å
• c: 12.7308 ± 0.0004 Å
• α: 86.193 ± 0.002°
• β: 69.763 ± 0.003°
• γ: 89.82 ± 0.003°
• Cell volume: 1625.04 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0493
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No