Information card for entry 1576357

Structure parameters

• Chemical name: zjj1
• Formula: C38 H22 N2
• Calculated formula: C38 H22 N2
• Title of publication: High-Efficiency Nondoped Near-Ultraviolet Organic Light-Emitting Diodes Based on Spiro Luminogens with High-Lying Reverse Intersystem Crossing
• Authors of publication: Zeng, Jiajie; Hao, Guoxia; Wu, Xing; Dong, Xiaobing; Guo, Tingxuan; Tang, Ben Zhong; Zhao, Zujin
• Journal of publication: Materials Horizons
• Year of publication: 2025
• a: 14.15 ± 0.006 Å
• b: 10.081 ± 0.004 Å
• c: 19.374 ± 0.008 Å
• α: 90°
• β: 107.913 ± 0.009°
• γ: 90°
• Cell volume: 2629.7 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No