Information card for entry 7064022

Structure parameters

• Formula: C44 H36 N4
• Calculated formula: C44 N4
• Title of publication: Strong red-emission tetraphenylethene-based AIE-active π-conjugated push-pull chromophores
• Authors of publication: Ou, Yi-Ting; Tseng, Tzu-Yun; Ke, Yuanzhen; Chen, Chih-Hsien
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• a: 12.715 ± 0.003 Å
• b: 9.2257 ± 0.0015 Å
• c: 31.29 ± 0.005 Å
• α: 90°
• β: 95.436 ± 0.009°
• γ: 90°
• Cell volume: 3654 ± 1.2 ų
• Cell temperature: 281 ± 2 K
• Ambient diffraction temperature: 281 ± 2 K
• Number of distinct elements: 3
• 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: 0.4484
• Residual factor for significantly intense reflections: 0.2685
• Weighted residual factors for significantly intense reflections: 0.3379
• Weighted residual factors for all reflections included in the refinement: 0.4
• Goodness-of-fit parameter for all reflections included in the refinement: 1.507
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No