Information card for entry 1577239

Structure parameters

• Formula: C55.25 H56.5 B Cl2.5 N3
• Calculated formula: C55.25 H56.5 B Cl2.5 N3
• Title of publication: Methyl-Induced Ring-Locking Strategy for Concentration-Independent MR-TADF Emitters toward High-Performance OLEDs with BT. 2020 Blue Gamut
• Authors of publication: Li, Gaoyu; Wang, Yuyuan; Wu, Bo; Bian, Jinkun; Xie, Haozhi; Ma, Zhiwei; Dai, Hui; Yang, Zhan; Ge, Xiangyu; Chi, Zhenguo
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 12.4268 ± 0.0009 Å
• b: 13.5526 ± 0.0009 Å
• c: 14.4898 ± 0.001 Å
• α: 93.589 ± 0.002°
• β: 93.387 ± 0.002°
• γ: 106.748 ± 0.002°
• Cell volume: 2324.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1019
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.3331
• Weighted residual factors for all reflections included in the refinement: 0.3454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.659
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No