Information card for entry 4514393

Structure parameters

• Formula: C37 H25 Cl2 N5
• Calculated formula: C37 H25 Cl2 N5
• Title of publication: [1,2,4]Triazolo[1,5-a]pyridine as Building Blocks for Universal Host Materials for High-Performance Red, Green, Blue and White Phosphorescent Organic Light-Emitting Devices.
• Authors of publication: Song, Wenxuan; Shi, Lijiang; Gao, Lei; Hu, Peijun; Mu, Haichuan; Xia, Zhenyuan; Huang, Jinhai; Su, Jianhua
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 5714 - 5722
• a: 13.8123 ± 0.0014 Å
• b: 17.7997 ± 0.0019 Å
• c: 13.9287 ± 0.0015 Å
• α: 90°
• β: 116.496 ± 0.002°
• γ: 90°
• Cell volume: 3064.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No