Information card for entry 1516658

Structure parameters

• Formula: C53 H33 Cl3 N6 O2
• Calculated formula: C53 H33 Cl3 N6 O2
• 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: 11.0052 ± 0.0002 Å
• b: 13.4251 ± 0.0002 Å
• c: 14.8416 ± 0.0003 Å
• α: 90°
• β: 102.384 ± 0.001°
• γ: 90°
• Cell volume: 2141.76 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2245
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.722
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No