Information card for entry 7236837

Structure parameters

• Common name: BpPOPB
• Chemical name: BpPOPB
• Formula: C42 H36 O4 P2
• Calculated formula: C42 H32 O4 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: 9.312 ± 0.0014 Å
• b: 10.7746 ± 0.0016 Å
• c: 19.176 ± 0.003 Å
• α: 101.083 ± 0.002°
• β: 96.617 ± 0.003°
• γ: 111.519 ± 0.002°
• Cell volume: 1719.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No