Information card for entry 4517401

Structure parameters

• Formula: C34 H27 N O4 Pt S
• Calculated formula: C34 H27 N O4 Pt S
• SMILES: [Pt]12(c3c4ccccc4c(c(OC)c3c3sc4ccccc4[n]13)c1c3ccccc3ccc1OC)OC(=CC(=[O]2)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: 12.9613 ± 0.0007 Å
• b: 10.7014 ± 0.0004 Å
• c: 13.1802 ± 0.0006 Å
• α: 90°
• β: 113.51 ± 0.006°
• γ: 90°
• Cell volume: 1676.39 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No