Information card for entry 7237495

Structure parameters

• Formula: C111 H70 Cl2 N12
• Calculated formula: C111 H70 Cl2 N12
• Title of publication: Positional isomerism effect of spirobifluorene and terpyridine moieties of “(A)n–D–(A)n” type electron transport materials for long-lived and highly efficient TADF-PhOLEDs
• Authors of publication: Bian, Mengying; Wang, Yuanxun; Guo, Xuan; Lv, Fang; Chen, Zhijian; Duan, Lian; Bian, Zuqiang; Liu, Zhiwei; Geng, Hua; Xiao, Lixin
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 38
• Pages of publication: 10276
• a: 16.5689 ± 0.0005 Å
• b: 35.4714 ± 0.0009 Å
• c: 16.5839 ± 0.0005 Å
• α: 90°
• β: 107.626 ± 0.003°
• γ: 90°
• Cell volume: 9289.1 ± 0.5 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.1088
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No