Information card for entry 1516655

Structure parameters

• Formula: C53 H35 Cl3 N4 O2
• Calculated formula: C53 H35 Cl3 N4 O2
• SMILES: o1c(nnc1c1ccccc1)c1c(ccc(c1)c1ccc(cc1)c1ccccc1)c1c(cc(cc1)c1ccc(cc1)c1ccccc1)c1oc(nn1)c1ccccc1.ClC(Cl)Cl
• Title of publication: The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes.
• Authors of publication: Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 235 - 238
• a: 11.9304 ± 0.0005 Å
• b: 13.1965 ± 0.0005 Å
• c: 14.3418 ± 0.0005 Å
• α: 85.259 ± 0.002°
• β: 78.176 ± 0.002°
• γ: 79.079 ± 0.002°
• Cell volume: 2167.77 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1529
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No