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Information card for entry 7242799
Preview
| Coordinates | 7242799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H18 N6 O3 S |
|---|---|
| Calculated formula | C9 H18 N6 O3 S |
| Title of publication | Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility |
| Authors of publication | da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 24 |
| Pages of publication | 4252 - 4263 |
| a | 9.1659 ± 0.0007 Å |
| b | 9.5067 ± 0.0008 Å |
| c | 9.6825 ± 0.0008 Å |
| α | 77.541 ± 0.007° |
| β | 72.346 ± 0.007° |
| γ | 67.479 ± 0.007° |
| Cell volume | 737.89 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0861 |
| Residual factor for significantly intense reflections | 0.0657 |
| Weighted residual factors for significantly intense reflections | 0.1805 |
| Weighted residual factors for all reflections included in the refinement | 0.195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7242799.html
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Users of the data should acknowledge the original authors of the
structural data.