Information card for entry 4517243

Structure parameters

• Formula: C44 H39 N3 O2
• Calculated formula: C44 H39 N3 O2
• SMILES: CC(C)(C)c1cc2c3cc(ccc3n(c2cc1)c1ccc(cn1)C(=O)c1ccc(cc1)N1c2c(Oc3c1cccc3)cccc2)C(C)(C)C
• Title of publication: Molecular engineering of thermally activated delayed fluorescence emitters with aggregation-induced emission via introducing intramolecular hydrogen-bonding interactions for efficient solution-processed non-doped OLEDs.
• Authors of publication: Ma, Fulong; Zhao, Guimin; Zheng, Yu; He, Fangru; Hasrat, Kamran; Qi, Zhengjian
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• a: 14.5643 ± 0.0005 Å
• b: 21.1248 ± 0.0009 Å
• c: 22.2011 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6830.6 ± 0.4 ų
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.075
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No