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Information card for entry 7209603
Preview
| Coordinates | 7209603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H70 O35 |
|---|---|
| Calculated formula | C42 H70 O35 |
| SMILES | O[C@H]1[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@H](CO)[C@@H](O[C@@H](O[C@@H]2CO)[C@@H]1O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O |
| Title of publication | Chloramphenicol·cyclodextrin inclusion compounds: co-dissolution and mechanochemical preparations and antibacterial action |
| Authors of publication | Ramos, Ana I.; Braga, Teresa M.; Silva, Patrícia; Fernandes, José A.; Ribeiro-Claro, Paulo; Lopes, Maria de Fátima Silva; Paz, Filipe A. Almeida; Braga, Susana S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 15 |
| Pages of publication | 2822 |
| a | 19.056 ± 0.005 Å |
| b | 24.415 ± 0.006 Å |
| c | 15.698 ± 0.004 Å |
| α | 90° |
| β | 109.463 ± 0.013° |
| γ | 90° |
| Cell volume | 6886 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.2548 |
| Residual factor for significantly intense reflections | 0.1366 |
| Weighted residual factors for significantly intense reflections | 0.3486 |
| Weighted residual factors for all reflections included in the refinement | 0.3942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180427 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/96. |
7209603.cif |
| 86052 | 2013-05-09 | cif/ Adding structures of 7209603 via cif-deposit CGI script. |
7209603.cif |
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Users of the data should acknowledge the original authors of the
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