Information card for entry 7064405

Structure parameters

• Formula: C28 H25 N O4 S
• Calculated formula: C28 H25 N O4 S
• Title of publication: Facile transformation of rofecoxib into a novel near-infrared AIEgen for real-time dynamic monitoring of lipid droplets metabolism
• Authors of publication: Dai, Tao; Li, Renfu; Wu, Tong; Wang, Xia; Wang, Xinli; Zhang, Weiwei; Chen, Xueyuan; Chen, Zhuo; Xie, Lijun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 17.867 ± 0.0004 Å
• b: 6.0433 ± 0.0001 Å
• c: 21.7935 ± 0.0004 Å
• α: 90°
• β: 96.539 ± 0.002°
• γ: 90°
• Cell volume: 2337.86 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No