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Information card for entry 8106646
Preview
| Coordinates | 8106646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H13 F O5 S |
|---|---|
| Calculated formula | C9 H13 F O5 S |
| SMILES | S(=O)(=O)(F)CCC1(C(=O)OC)CCCC1=O |
| Title of publication | Crystal structure of methyl 1-(2-(fluorosulfonyl)ethyl)-2-oxocyclopentanecarboxylate, C9H13FO5S |
| Authors of publication | Govender, Kimberleigh B.; Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrik G.; Naicker, Tricia |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 697 - 698 |
| a | 5.939 ± 0.0003 Å |
| b | 8.1581 ± 0.0004 Å |
| c | 11.3823 ± 0.0008 Å |
| α | 89.498 ± 0.003° |
| β | 85.314 ± 0.005° |
| γ | 84.916 ± 0.005° |
| Cell volume | 547.48 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0325 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280725 (current) | 2023-02-01 | cif/ Adding structures of 8106646 via cif-deposit CGI script. |
8106646.cif |
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Users of the data should acknowledge the original authors of the
structural data.