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Information card for entry 7064405
Preview
| Coordinates | 7064405.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 305916 (current) | 2026-05-10 | cif/ Adding structures of 7064405 via cif-deposit CGI script. |
7064405.cif |
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Users of the data should acknowledge the original authors of the
structural data.