Information card for entry 7135695

Structure parameters

• Formula: C72 H59 B N4 O
• Calculated formula: C72 H59 B N4 O
• Title of publication: A triazatruxene decorated multi-resonance emitter with hybrid short- and long-range charge-transfer excited states enables efficient narrowband deep-blue electroluminescence.
• Authors of publication: Gao, Ying; Guo, Xiaoyu; Xie, Bingjie; Miao, Jingsheng; Zou, Yang; Yang, Chuluo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 32
• Pages of publication: 8203 - 8206
• a: 32.7022 ± 0.0014 Å
• b: 6.8431 ± 0.0003 Å
• c: 25.6062 ± 0.0011 Å
• α: 90°
• β: 96.362 ± 0.003°
• γ: 90°
• Cell volume: 5695 ± 0.4 ų
• Cell temperature: 102 K
• Ambient diffraction temperature: 102 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No