Information card for entry 1577273

Structure parameters

• Formula: C65.5 H63 B Cl3 N3 O
• Calculated formula: C65.5 H63 B Cl3 N3 O
• Title of publication: Dynamic pendulum strategy enables both anti-quenching and fast spin flipping for efficient blue multiple-resonance thermally activated delayed fluorescence emitters
• Authors of publication: Gan, Xiangqin; Chen, Bitian; Li, Jia-Qi; Si, Han; Sun, Ning; Meng, Guoyun; Chen, Xian-Kai; Ding, Liming; Lu, Zheng-Hong; Ding, Junqiao
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 20.119 ± 0.003 Å
• b: 19.255 ± 0.004 Å
• c: 29.1 ± 0.005 Å
• α: 90°
• β: 90.472 ± 0.005°
• γ: 90°
• Cell volume: 11273 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.209
• Residual factor for significantly intense reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.2235
• Weighted residual factors for all reflections included in the refinement: 0.2607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No