Information card for entry 1565578

Structure parameters

• Formula: C27 H20 N3 O P
• Calculated formula: C27 H20 N3 O P
• SMILES: P(=O)(c1nc(nc(n1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.
• Authors of publication: Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 159 - 169
• a: 8.7349 ± 0.0003 Å
• b: 18.3308 ± 0.0005 Å
• c: 14.1743 ± 0.0005 Å
• α: 90°
• β: 94.763 ± 0.003°
• γ: 90°
• Cell volume: 2261.72 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No