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Information card for entry 1519138
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| Coordinates | 1519138.cif |
|---|
| Formula | C14 H9 Cl O7 |
|---|---|
| Calculated formula | C14 H9 Cl O7 |
| SMILES | ClC1=CC(=O)c2c(c(O)cc(OC(=O)C)c2OC(=O)C)C1=O |
| Title of publication | C14H9ClO7 |
| Authors of publication | Roberts, Stan. M.; Hibbs, Dai. E.; Hursthouse, Michael B.; Lamond, Steven J. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1994 |
| Pages of publication | 821 |
| a | 16.051 ± 0.0008 Å |
| b | 5.559 ± 0.0008 Å |
| c | 30.98 ± 0.009 Å |
| α | 90° |
| β | 96.99 ± 0.02° |
| γ | 90° |
| Cell volume | 2743.7 ± 0.9 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1208 |
| Residual factor for significantly intense reflections | 0.0859 |
| Weighted residual factors for significantly intense reflections | 0.2277 |
| Weighted residual factors for all reflections included in the refinement | 0.2499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 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. |
1519138.cif |
| 135450 | 2015-04-30 | cif/ Adding structures of 1519138 via cif-deposit CGI script. |
1519138.cif |
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Users of the data should acknowledge the original authors of the
structural data.