Information card for entry 7064430

Structure parameters

• Formula: C31 H20 N2 O
• Calculated formula: C31 H20 N2 O
• Title of publication: D–π–A type AIE molecules exhibiting persistent room temperature phosphorescence and delayed fluorescence through structural regulation
• Authors of publication: Zhang, Zhihua; Qu, Hongmei; Li, Xia; Li, Yameng; Dai, Ruihan; Zhang, Xuesong; Pan, Wenjing
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 8823 - 8834
• a: 18.7211 ± 0.0006 Å
• b: 9.7293 ± 0.0003 Å
• c: 11.9442 ± 0.0004 Å
• α: 90°
• β: 94.533 ± 0.001°
• γ: 90°
• Cell volume: 2168.75 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No