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Information card for entry 1559885
Preview
| Coordinates | 1559885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H Cd Cl N O Zn0.02 |
|---|---|
| Calculated formula | C86 H80 Cl8 N42 O20 Zn2 |
| Title of publication | Detecting Pesticide Dodine by Displacement of Fluorescent Acridine from Cucurbit[10]uril Macrocycle |
| Authors of publication | Xu, Wei-Tao; Luo, Yang; Zhao, Wei-Wei; Liu, Ming; Luo, Guang-Yan; Fan, Ying; Lin, Rui-Lian; Tao, Zhu; Xiao, Xin; Liu, Jing-Xin |
| Journal of publication | Journal of Agricultural and Food Chemistry |
| Year of publication | 2020 |
| a | 26.767 ± 0.004 Å |
| b | 15.402 ± 0.003 Å |
| c | 20.763 ± 0.006 Å |
| α | 90° |
| β | 124.29 ± 0.004° |
| γ | 90° |
| Cell volume | 7072 ± 3 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 7 |
| 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 | 0.1003 |
| Residual factor for significantly intense reflections | 0.0801 |
| Weighted residual factors for significantly intense reflections | 0.2768 |
| Weighted residual factors for all reflections included in the refinement | 0.3001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260273 (current) | 2020-12-31 | cif/ Adding structures of 1559885 via cif-deposit CGI script. |
1559885.cif |
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Users of the data should acknowledge the original authors of the
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