Information card for entry 7061468

Structure parameters

• Formula: C64 H46 N6
• Calculated formula: C64 H46 N6
• SMILES: N1(c2c(C(C)(C)c3c1cccc3)cccc2)c1ccc(c2nc3c(nc2c2ccc(N4c5ccccc5C(C)(c5c4cccc5)C)cc2)cc(c(c2ccc(C#N)cc2)c3)c2ccc(C#N)cc2)cc1
• 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: 10.5869 ± 0.0004 Å
• b: 14.2196 ± 0.0006 Å
• c: 16.8639 ± 0.0007 Å
• α: 87.049 ± 0.002°
• β: 82.503 ± 0.002°
• γ: 74.066 ± 0.002°
• Cell volume: 2419.98 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No