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Information card for entry 1519126
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| Coordinates | 1519126.cif |
|---|
| Formula | C13 H19 Cl O8 |
|---|---|
| Calculated formula | C13 H19 Cl O8 |
| SMILES | ClC[C@H]([C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Title of publication | C13H19ClO8 |
| Authors of publication | Sawden, Janette; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1993 |
| Pages of publication | 1183 |
| a | 7.9919 ± 0.0004 Å |
| b | 22.982 ± 0.006 Å |
| c | 8.845 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1624.6 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.406 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519126.cif |
| 135429 | 2015-04-30 | cif/ Adding structures of 1519126 via cif-deposit CGI script. |
1519126.cif |
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Users of the data should acknowledge the original authors of the
structural data.