Information card for entry 1564907

Structure parameters

• Formula: C6 H46 O6 P4
• Calculated formula: C60 H45.5 O6 P4
• SMILES: P(=O)(c1c(Oc2c(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: 16.84 ± 0.006 Å
• b: 17.761 ± 0.007 Å
• c: 17.961 ± 0.006 Å
• α: 72.025 ± 0.008°
• β: 89.976 ± 0.009°
• γ: 81.696 ± 0.009°
• Cell volume: 5051 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.173
• Residual factor for significantly intense reflections: 0.1147
• Weighted residual factors for significantly intense reflections: 0.2376
• Weighted residual factors for all reflections included in the refinement: 0.2629
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No