Information card for entry 1564427

Structure parameters

• Formula: C50 H34 N2
• Calculated formula: C50 H34 N2
• SMILES: n1(c2ccccc2c2c1cccc2)c1cc(ccc1)c1c2ccccc2c(c2c1cccc2)c1ccc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: Aggregation-induced emission luminogen with excellent triplet-triplet upconversion efficiency for highly efficient non-doped blue organic light-emitting diodes.
• Authors of publication: Han, Pengbo; Lin, Chengwei; Wang, Kaojin; Qiu, Yanping; Wu, Haozhong; Qin, Anjun; Ma, Dongge; Tang, Ben Zhong
• Journal of publication: Materials horizons
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 376 - 382
• a: 19.525 ± 0.01 Å
• b: 9.546 ± 0.006 Å
• c: 20.594 ± 0.013 Å
• α: 90°
• β: 114.38 ± 0.02°
• γ: 90°
• Cell volume: 3496 ± 4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No