Information card for entry 4518177

Structure parameters

• Formula: C40 H28 N6
• Calculated formula: C40 H28 N6
• SMILES: n1(c(nnc1c1ccccc1)c1ccccc1c1ccccc1c1n(c2ccccc2)c(nn1)c1ccccc1)c1ccccc1
• Title of publication: Bistriazoles with a Biphenyl Core Derivative as an Electron-Favorable Bipolar Host of Efficient Blue Phosphorescent Organic Light-Emitting Diodes.
• Authors of publication: Lee, Jiun-Haw; Chen, Chia-Hsun; Lin, Bo-Yen; Lan, Yi-Hsin; Huang, Yi-Mei; Chen, Nai-Jing; Huang, Jau-Jiun; Volyniuk, Dmytro; Keruckiene, Rasa; Grazulevicius, Juozas Vidas; Wu, Yuh-Renn; Leung, Man-Kit; Chiu, Tien-Lung
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 9.6402 ± 0.0005 Å
• b: 21.1318 ± 0.0012 Å
• c: 14.7796 ± 0.0008 Å
• α: 90°
• β: 96.737 ± 0.005°
• γ: 90°
• Cell volume: 2990 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.0997
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No