Information card for entry 1577065

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
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 9921 - 9929
• a: 9.805 ± 0.0006 Å
• b: 18.3387 ± 0.0011 Å
• c: 20.2686 ± 0.0011 Å
• α: 63.146 ± 0.006°
• β: 80.571 ± 0.005°
• γ: 83.606 ± 0.006°
• Cell volume: 3204.7 ± 0.4 ų
• Cell temperature: 102 ± 3 K
• Ambient diffraction temperature: 102 ± 3 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2111
• Residual factor for significantly intense reflections: 0.1796
• Weighted residual factors for significantly intense reflections: 0.3447
• Weighted residual factors for all reflections included in the refinement: 0.3608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.303
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No