Information card for entry 7237954

Structure parameters

• Formula: C55 H34 N6
• Calculated formula: C55 H34 N6
• Title of publication: Increasing electron transporting properties and horizontal molecular orientation via meta-position of nitrogen for “(A)n‒D‒(A)n” structured terpyridine electron-transporting material
• Authors of publication: Guo, Xuan; Bian, Mengying; Lv, Fang; Wang, Yuanxun; Zhao, Zifeng; Bian, Zuqiang; Qu, Bo; Xiao, Lixin; Chen, Zhijian
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 37
• Pages of publication: 11581
• a: 12.1535 ± 0.0008 Å
• b: 17.2039 ± 0.0013 Å
• c: 21.2434 ± 0.0014 Å
• α: 85.915 ± 0.006°
• β: 82.611 ± 0.005°
• γ: 70.949 ± 0.006°
• Cell volume: 4161.6 ± 0.5 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.1664
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No