Information card for entry 7237496

Structure parameters

• Formula: C57 H38 Cl4 N6
• Calculated formula: C57 H38 Cl4 N6
• 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: 19.5621 ± 0.001 Å
• b: 24.2721 ± 0.0018 Å
• c: 12.7702 ± 0.0007 Å
• α: 90°
• β: 129.729 ± 0.005°
• γ: 90°
• Cell volume: 4663.3 ± 0.6 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1371
• Residual factor for significantly intense reflections: 0.1018
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No