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Information card for entry 7240431
Preview
| Coordinates | 7240431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22.79 H18.58 Cl1.58 N3 O5 |
|---|---|
| Calculated formula | C22.789 H18.578 Cl1.578 N3 O5 |
| Title of publication | Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism |
| Authors of publication | Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 12.408 ± 0.004 Å |
| b | 7.7207 ± 0.0014 Å |
| c | 24.595 ± 0.005 Å |
| α | 90° |
| β | 99.138 ± 0.016° |
| γ | 90° |
| Cell volume | 2326.3 ± 1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1181 |
| Residual factor for significantly intense reflections | 0.088 |
| Weighted residual factors for significantly intense reflections | 0.1869 |
| Weighted residual factors for all reflections included in the refinement | 0.2045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251338 (current) | 2020-05-01 | cif/ Adding structures of 7240430, 7240431, 7240432, 7240433, 7240434, 7240435 via cif-deposit CGI script. |
7240431.cif |
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Users of the data should acknowledge the original authors of the
structural data.