Information card for entry 4514515

Structure parameters

• Formula: C40 H25 N3 O
• Calculated formula: C40 H25 N3 O
• SMILES: O=C(c1cc(n2c3c(cccc3)c3c2cccc3)cc(n2c3c(c4ccccc24)cccc3)c1)c1nc2c(cc1)cccc2
• Title of publication: Quinolinylmethanone-Based Thermally Activated Delayed Fluorescence Emitters and the Application in OLEDs: Effect of Intramolecular H-Bonding.
• Authors of publication: Thangaraji, Vasudevan; Rajamalli, Pachaiyappan; Jayakumar, Jayachandran; Huang, Min-Jie; Chen, Yu-Wei; Cheng, Chien-Hong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 17128 - 17133
• a: 7.1479 ± 0.0006 Å
• b: 26.071 ± 0.003 Å
• c: 30.737 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5727.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No