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Information card for entry 7240434
Preview
| Coordinates | 7240434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 N3 O7 |
|---|---|
| Calculated formula | C25 H22 N3 O7 |
| 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 | 12.5159 ± 0.0006 Å |
| b | 7.7861 ± 0.0005 Å |
| c | 24.3482 ± 0.001 Å |
| α | 90° |
| β | 96.499 ± 0.004° |
| γ | 90° |
| Cell volume | 2357.5 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 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 | 0.0921 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.183 |
| Weighted residual factors for all reflections included in the refinement | 0.2066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| 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. |
7240434.cif |
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Users of the data should acknowledge the original authors of the
structural data.