Information card for entry 1559640

Structure parameters

• Formula: C52 H33 Cl2 N O
• Calculated formula: C52 H33 Cl2 N O
• SMILES: ClCCl.O=C1c2c(C3(c4c(c5c3cccc5)cccc4)c3cc(N4c5c(C6(c7c4cccc7)c4c(c7c6cccc7)cccc4)cccc5)ccc13)cccc2
• Title of publication: Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off.
• Authors of publication: Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1495 - 1502
• a: 9.2787 ± 0.0005 Å
• b: 14.567 ± 0.0009 Å
• c: 28.3208 ± 0.0018 Å
• α: 90°
• β: 96.297 ± 0.002°
• γ: 90°
• Cell volume: 3804.8 ± 0.4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• 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: 0.1699
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No