Information card for entry 1564906

Structure parameters

• Common name: DPSQPO
• Chemical name: DPSQPO
• Formula: C60 H48 O5 P4 S
• Calculated formula: C60 H48 O5 P4 S
• SMILES: P(=O)(c1c(Sc2c(P(=O)(c3ccccc3)c3ccccc3)cc(P(=O)(c3ccccc3)c3ccccc3)cc2)ccc(P(=O)(c2ccccc2)c2ccccc2)c1)(c1ccccc1)c1ccccc1.O
• Title of publication: Weaving host matrixes with intermolecular hydrogen bonds for high-efficiency white thermally activated delayed fluorescence
• Authors of publication: Xu, Hui; Tian, Yuee; Wang, Huiqin; Man, Yi; Zhang, Jing; Zhang, Nan; Li, Ying; Han, Chunmiao
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 9.412 ± 0.005 Å
• b: 15.749 ± 0.005 Å
• c: 18.441 ± 0.005 Å
• α: 100.306 ± 0.005°
• β: 97.237 ± 0.005°
• γ: 97.345 ± 0.005°
• Cell volume: 2636.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No