Information card for entry 1577064

Structure parameters

• Formula: C27.5 H20 Cl N O
• Calculated formula: C27.5 H20 Cl N O
• Title of publication: A novel lactam-based AIE building block for high-performance deep-blue electroluminescent materials
• Authors of publication: Liu, Luyao; Lou, Jingli; Wan, Jiaxing; Li, Yin; Xiong, Hao; Huang, Yu; Yang, Dezhi; Zhang, Han; Tang, Ben Zhong; Wang, Zhiming
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 10.1296 ± 0.0002 Å
• b: 19.0519 ± 0.0003 Å
• c: 22.3359 ± 0.0005 Å
• α: 90°
• β: 101.44 ± 0.002°
• γ: 90°
• Cell volume: 4224.93 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1133
• Residual factor for significantly intense reflections: 0.1053
• Weighted residual factors for significantly intense reflections: 0.2639
• Weighted residual factors for all reflections included in the refinement: 0.268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No