Information card for entry 1572138

Structure parameters

• Formula: C60 H52 B N2 S
• Calculated formula: C60 H52 B N2 S
• Title of publication: 10-Dibenzothiophenyl-9,9-diphenylacridane-based multiple resonance emitters for high-efficiency narrowband green OLEDs with CIE <i>y</i> > 0.7 at high doping concentrations.
• Authors of publication: Zhong, Rui; Wang, Mengyu; Wang, Xingdong; Wang, Shumeng; Shao, Shiyang; Wang, Lixiang
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 33
• Pages of publication: 13290 - 13298
• a: 11.287 ± 0.006 Å
• b: 12.693 ± 0.006 Å
• c: 18.454 ± 0.01 Å
• α: 101.306 ± 0.014°
• β: 101.726 ± 0.015°
• γ: 97.471 ± 0.014°
• Cell volume: 2498 ± 2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.1857
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2474
• Weighted residual factors for all reflections included in the refinement: 0.302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No