Information card for entry 1565579

Structure parameters

• Formula: C40 H28 Cl2 N5 O P
• Calculated formula: C40 H28 Cl2 N5 O P
• SMILES: n1c(n2c3ccccc3c3c2cccc3)nc(P(=O)(c2ccccc2)c2ccccc2)nc1n1c2c(c3c1cccc3)cccc2.C(Cl)Cl
• 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: 18.7793 ± 0.0007 Å
• b: 8.0735 ± 0.0002 Å
• c: 26.4549 ± 0.0011 Å
• α: 90°
• β: 122.492 ± 0.003°
• γ: 90°
• Cell volume: 3383.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No