Information card for entry 1554252

Structure parameters

• Formula: C45 H29 N5
• Calculated formula: C45 H29 N5
• SMILES: n1c2c3ccccc3c3ccccc3c2n(c1c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1nn2c(n1)cccc2)c1ccccc1
• Title of publication: A novel D–π–A blue fluorophore based on [1,2,4]triazolo[1,5-a]pyridine as an electron acceptor and its application in organic light-emitting diodes
• Authors of publication: Cao, Chen; Chen, Wen-Cheng; Tian, Shuang; Chen, Jia-Xiong; Wang, Zhong-Yi; Zheng, Xu-Hui; Ding, Chong-Wei; Li, Jing-Hong; Zhu, Jie-Ji; Zhu, Ze-Lin; Tong, Qing-Xiao; Lee, Chun-Sing
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 1071
• a: 8.9145 ± 0.0003 Å
• b: 13.2762 ± 0.0004 Å
• c: 14.5859 ± 0.0005 Å
• α: 110.467 ± 0.002°
• β: 98.648 ± 0.002°
• γ: 96.716 ± 0.002°
• Cell volume: 1571.88 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No