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Information card for entry 7245549
Preview
| Coordinates | 7245549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Metamitron-Baicalein |
|---|---|
| Formula | C25 H20 N4 O6 |
| Calculated formula | C25 H20 N4 O6 |
| Title of publication | Cocrystal engineering strategy for sustained release and leaching reduction of herbicides: a case study of metamitron |
| Authors of publication | Xiao, Yuntian; Wu, Chuanhua; Zhou, Ling; Yin, Qiuxiang; Yang, Jingxiang |
| Journal of publication | Green Chemistry |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 20 |
| Pages of publication | 8088 - 8099 |
| a | 5.2165 ± 0.0002 Å |
| b | 13.1426 ± 0.0004 Å |
| c | 31.0132 ± 0.001 Å |
| α | 90° |
| β | 89.95 ± 0.003° |
| γ | 90° |
| Cell volume | 2126.21 ± 0.12 Å3 |
| Cell temperature | 113.15 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0789 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1221 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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 |
|---|---|---|---|
| 278986 (current) | 2022-11-07 | cif/ Updating files of 7245547, 7245548, 7245549 Original log message: Adding full bibliography for 7245547--7245549.cif. |
7245549.cif |
| 278096 | 2022-09-23 | cif/ Adding structures of 7245547, 7245548, 7245549 via cif-deposit CGI script. |
7245549.cif |
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Users of the data should acknowledge the original authors of the
structural data.