Information card for entry 4517402

Structure parameters

• Formula: C34 H27 N O4 Pt S
• Calculated formula: C34 H27 N O4 Pt S
• SMILES: [Pt]12(c3c4c(c(c5c(OC)ccc6ccccc56)c(OC)c3c3sc5c([n]23)cccc5)cccc4)OC(=CC(=[O]1)C)C
• Title of publication: Rational Design of Axially Chiral Platinabinaphthalenes with Aggregation-Induced Emission for Red Circularly Polarized Phosphorescent Organic Light-Emitting Diodes.
• Authors of publication: Jiang, Zhiyong; Wang, Jun; Gao, Tingting; Ma, Jianping; Chen, Runfeng; Liu, Zhipeng
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 10.232 ± 0.002 Å
• b: 23.201 ± 0.004 Å
• c: 13.408 ± 0.002 Å
• α: 90°
• β: 90.275 ± 0.007°
• γ: 90°
• Cell volume: 3182.9 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No