Information card for entry 1573237

Structure parameters

• Formula: C37 H22 N2 O2
• Calculated formula: C37 H22 N2 O2
• SMILES: O1c2c(ccc(n3c4ccc5c6c(n(c7ccccc7)c5c4c4ccccc34)cccc6)c2)C(=O)c2c1cccc2
• Title of publication: An effective design strategy for thermally activated delayed fluorescence emitters with aggregation-induced emission to enable sky-blue OLEDs that achieve an EQE of nearly 30.
• Authors of publication: Dai, Hui; Liang, Yaohui; Long, Xiang; Tang, Tianyi; Xie, Haozhi; Ma, Zhiwei; Li, Gaoyu; Yang, Zhan; Zhao, Juan; Chi, Zhenguo
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 156 - 162
• a: 5.7116 ± 0.0005 Å
• b: 12.3669 ± 0.0009 Å
• c: 18.667 ± 0.0014 Å
• α: 102.633 ± 0.006°
• β: 91.04 ± 0.006°
• γ: 92.503 ± 0.006°
• Cell volume: 1284.87 ± 0.18 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.1437
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No