Information card for entry 7236836

Structure parameters

• Common name: BmPOPB
• Formula: C42 H34 O3 P2
• Calculated formula: C42 H34 O3 P2
• Title of publication: Optimized electron-transport material based on m-terphenyl-diphenylphosphine oxide with the harmonious compatibility of high ET and electron mobility for highly efficient OLEDs
• Authors of publication: Zhang, Qing; Wang, Bo; Tan, Jianghong; Mu, Guangyuan; Yi, Wei; Lv, Xialei; Zhuang, Shaoqing; Liu, Wei; Wang, Lei
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 33
• Pages of publication: 8516
• a: 9.3476 ± 0.0001 Å
• b: 34.3019 ± 0.0005 Å
• c: 10.7754 ± 0.0002 Å
• α: 90°
• β: 105.905 ± 0.001°
• γ: 90°
• Cell volume: 3322.76 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No