Information card for entry 7135809

Structure parameters

• Formula: C93.5 H73 B4 Cl9 N6 O0.5
• Calculated formula: C90 H68 B4 N6
• Title of publication: Ortho-B-π-B-regulated multiple-resonance emitter enables high efficiency narrowband yellow OLEDs
• Authors of publication: Hua, Tao; Hu, Yongxu; Jiang, Ting; Guo, Xiaoyu; Zhang, Chi; Chen, Zhanxiang; Miao, Jingsheng; Yang, Chuluo; Huang, Zhongyan
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 24.943 ± 0.0013 Å
• b: 32.1607 ± 0.0018 Å
• c: 42.16 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33820 ± 3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2141
• Residual factor for significantly intense reflections: 0.144
• Weighted residual factors for significantly intense reflections: 0.3834
• Weighted residual factors for all reflections included in the refinement: 0.4326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.364
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No