Information card for entry 1577066

Structure parameters

• Formula: C45 H30 N2 O
• Calculated formula: C45 H30 N2 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: 11.9187 ± 0.0001 Å
• b: 19.0723 ± 0.0002 Å
• c: 29.5542 ± 0.0003 Å
• α: 90°
• β: 91.654 ± 0.001°
• γ: 90°
• Cell volume: 6715.37 ± 0.11 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No