Information card for entry 7134782

Structure parameters

• Formula: C93 H86 Cl2 N6
• Calculated formula: C93 H86 Cl2 N6
• Title of publication: Planar chiral orange-red TADF materials with AIE properties for efficient circularly polarized OLEDs.
• Authors of publication: Xiao, Xiong; Liang, Jia-Qi; Hu, Jia-Jun; Yuan, Li; Zhu, Jia-Zhen; Chen, Zong-Ju; Song, You; Li, Cheng-Hui; Zheng, You-Xuan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 63
• Pages of publication: 11766 - 11769
• a: 15.8363 ± 0.0007 Å
• b: 15.8363 ± 0.0007 Å
• c: 58.867 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14763.2 ± 1.4 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No