Information card for entry 1559641

Structure parameters

• Formula: C51 H33 N O
• Calculated formula: C51 H33 N O
• SMILES: O=C1c2c(C3(c4c1cccc4)c1c(c4c3cccc4)cccc1)cc(N1c3c(C(c4ccccc4)(c4c1cccc4)c1ccccc1)cccc3)cc2
• 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: 12.0934 ± 0.0006 Å
• b: 13.1272 ± 0.0007 Å
• c: 13.4509 ± 0.0007 Å
• α: 118.019 ± 0.001°
• β: 90.255 ± 0.002°
• γ: 105.741 ± 0.002°
• Cell volume: 1792.4 ± 0.16 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No