Information card for entry 1576046

Structure parameters

• Formula: C36 H22 N2 Se
• Calculated formula: C36 H22 N2 Se
• Title of publication: Exciplex spin-flip acceleration enables high-performance narrowband electroluminescence
• Authors of publication: Wang, Mengcheng; Chen, Zhanxiang; Huang, Manli; wang, dengke; Zhong, Cheng; Lu, Zhenghong; Yang, Chuluo
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 8.2538 ± 0.0006 Å
• b: 36.109 ± 0.003 Å
• c: 17.2295 ± 0.0013 Å
• α: 90°
• β: 92.671 ± 0.003°
• γ: 90°
• Cell volume: 5129.4 ± 0.7 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• 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: 0.1259
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No