Information card for entry 7131056

Structure parameters

• Formula: C25 H19 N O4
• Calculated formula: C25 H19 N O4
• Title of publication: AIE-active aurones for circularly polarized luminescence and trace water detection.
• Authors of publication: Duan, Wenzeng; Liu, Wenjing; Liu, Houting; Ji, Honghan; Huo, Yanmin; Wang, Huaiwei; Gong, Shuwen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• a: 9.1268 ± 0.0008 Å
• b: 8.0238 ± 0.0007 Å
• c: 26.1099 ± 0.0014 Å
• α: 90°
• β: 89.96 ± 0.006°
• γ: 90°
• Cell volume: 1912.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0832
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No