Information card for entry 7061469

Structure parameters

• Formula: C58 H34 N6 O2
• Calculated formula: C58 H34 N6 O2
• SMILES: O1c2c(N(c3ccc(c4nc5c(nc4c4ccc(N6c7c(Oc8c6cccc8)cccc7)cc4)cc(c4ccc(C#N)cc4)c(c5)c4ccc(C#N)cc4)cc3)c3c1cccc3)cccc2
• Title of publication: Efficient yellow and red thermally activated delayed fluorescence materials based on a quinoxaline-derived electron-acceptor
• Authors of publication: Ji, Si-Chao; Jiang, Shanshan; Zhao, Tianxiang; Meng, Lingyi; Chen, Xu-Lin; Lu, Can-Zhong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 8991 - 8998
• a: 11.0106 ± 0.0005 Å
• b: 15.1674 ± 0.0008 Å
• c: 15.2817 ± 0.0009 Å
• α: 77.222 ± 0.002°
• β: 73.086 ± 0.002°
• γ: 74.851 ± 0.002°
• Cell volume: 2327.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.1177
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No