Information card for entry 1572379
| Formula |
C52 H53 Cl2 N3 O12 |
| Calculated formula |
C52 H53 Cl2 N3 O12 |
| Title of publication |
An endo-functionalized molecular cage for selective potentiometric determination of creatinine |
| Authors of publication |
Lu, Yu; Wang, Song-Meng; He, Sui-Sui; Huang, Qicheng; Zhao, Cheng-Da; Yu, Shan; Jiang, Wei; Yao, Huan; Wang, Li-Li; Yang, Liu-Pan |
| Journal of publication |
Chemical Science |
| Year of publication |
2024 |
| a |
22.6288 ± 0.0006 Å |
| b |
14.0186 ± 0.0004 Å |
| c |
17.8883 ± 0.0005 Å |
| α |
90° |
| β |
104.328 ± 0.001° |
| γ |
90° |
| Cell volume |
5498.1 ± 0.3 Å3 |
| Cell temperature |
99.23 K |
| Ambient diffraction temperature |
99.23 K |
| Number of distinct elements |
5 |
| Space group number |
12 |
| Hermann-Mauguin space group symbol |
C 1 2/m 1 |
| Hall space group symbol |
-C 2y |
| Residual factor for all reflections |
0.0735 |
| Residual factor for significantly intense reflections |
0.0613 |
| Weighted residual factors for significantly intense reflections |
0.1531 |
| Weighted residual factors for all reflections included in the refinement |
0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.082 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1572379.html
