Information card for entry 1577274

Structure parameters

• Formula: C64 H60 B N3 O
• Calculated formula: C64 H60 B 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: 10.6441 ± 0.0005 Å
• b: 15.4789 ± 0.0009 Å
• c: 30.8095 ± 0.0015 Å
• α: 78.207 ± 0.002°
• β: 84.87 ± 0.002°
• γ: 78.151 ± 0.002°
• Cell volume: 4857.1 ± 0.4 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: 0.1249
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No