Information card for entry 7234262

Structure parameters

• Common name: PBIPO
• Chemical name: Diphenyl(4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenyl)phosphine oxide
• Formula: C20 H10 Cl0.5 N2 O P S0.5
• Calculated formula: C32 H27 Cl2 N2 O2 P
• SMILES: c1ccccc1c1n(c2c(cccc2)n1)c1ccc(cc1)P(=O)(c1ccccc1)c1ccccc1.C(Cl)Cl.O
• Title of publication: Phosphine oxide-jointed electron transporters for the reduction of interfacial quenching in highly efficient blue PHOLEDs
• Authors of publication: Wenjing Kan; Liping Zhu; Ying Wei; Dongge Ma; Mingzhi Sun; Zhongbin Wu; Wei Huang; Hui Xu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 5430 - 5439
• a: 10.8937 ± 0.0008 Å
• b: 12.4951 ± 0.001 Å
• c: 13.103 ± 0.0008 Å
• α: 115.982 ± 0.007°
• β: 111.79 ± 0.006°
• γ: 91.787 ± 0.006°
• Cell volume: 1448.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.2436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No