Information card for entry 1517975

Structure parameters

• Formula: C25 H18 N2
• Calculated formula: C25 H18 N2
• SMILES: n1(c2ccccc2nc1c1ccccc1c1ccccc1)c1ccccc1
• Title of publication: Novel Benzimidazole Derivatives as Electron-Transporting Type Host To Achieve Highly Efficient Sky-Blue Phosphorescent Organic Light-Emitting Diode (PHOLED) Device.
• Authors of publication: Huang, Jau-Jiun; Leung, Man-Kit; Chiu, Tien-Lung; Chuang, Ya-Ting; Chou, Pi-Tai; Hung, Yu-Hsiang
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 5398 - 5401
• a: 12.4127 ± 0.001 Å
• b: 9.7948 ± 0.0008 Å
• c: 15.3247 ± 0.0013 Å
• α: 90°
• β: 90.878 ± 0.007°
• γ: 90°
• Cell volume: 1863 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No