Information card for entry 7135149

Structure parameters

• Formula: C32 H26 N2 O
• Calculated formula: C32 H26 N2 O
• Title of publication: Design, synthesis and structural investigation of a novel class of aggregation-induced emission (AIE) molecular scaffolds
• Authors of publication: Ma, Qiyuan; Qin, Hao; He, Xulong; Zheng, Zexi; Ding, Yawen; Yuan, Yu; Zhang, Shuwei; Jia, Xiaodong
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 8.8121 ± 0.0002 Å
• b: 10.1918 ± 0.0002 Å
• c: 13.9891 ± 0.0004 Å
• α: 99.49 ± 0.002°
• β: 97.145 ± 0.002°
• γ: 103.344 ± 0.002°
• Cell volume: 1188.33 ± 0.05 ų
• Cell temperature: 299.13 ± 0.1 K
• Ambient diffraction temperature: 299.13 ± 0.1 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: 0.0419
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No