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Information card for entry 7244265
Preview
| Coordinates | 7244265.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | diisopropylammonium sulfate |
|---|---|
| Formula | C12 H32 N2 O4 S |
| Calculated formula | C12 H32 N2 O4 S |
| Title of publication | The need to change the approach to the safe use of herbicides by developing chiral and environmentally friendly formulations: a series of enantioselective (R)- and (S)-phenylethylammonium chloroacetates |
| Authors of publication | Turek, Marika; Biczak, Robert; Pawłowska, Barbara; Różycka-Sokołowska, Ewa; Owsianik, Krzysztof; Marciniak, Bernard; Bałczewski, Piotr |
| Journal of publication | Green Chemistry |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 4 |
| Pages of publication | 1693 - 1703 |
| a | 8.7824 ± 0.0002 Å |
| b | 8.8235 ± 0.0001 Å |
| c | 22.0837 ± 0.0004 Å |
| α | 90° |
| β | 95.202 ± 0.002° |
| γ | 90° |
| Cell volume | 1704.25 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0366 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273377 (current) | 2022-03-05 | cif/ Updating files of 7244265 Original log message: Adding full bibliography for 7244265.cif. |
7244265.cif |
| 272174 | 2022-01-21 | cif/ Adding structures of 7244265 via cif-deposit CGI script. |
7244265.cif |
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Users of the data should acknowledge the original authors of the
structural data.