Information card for entry 1573236

Structure parameters

• Formula: C37 H24 N2 O
• Calculated formula: C37 H24 N2 O
• SMILES: O=C(c1ccc(n2c3ccccc3c3c2ccc2c3n(c3c2cccc3)c2ccccc2)cc1)c1ccccc1
• 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: 6.499 ± 0.003 Å
• b: 11.218 ± 0.004 Å
• c: 17.798 ± 0.008 Å
• α: 97.448 ± 0.014°
• β: 93.423 ± 0.014°
• γ: 90.73 ± 0.02°
• Cell volume: 1284.1 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1119
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No