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Information card for entry 1519118
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| Coordinates | 1519118.cif |
|---|
| Formula | C15 H18 Cl2 N O4 |
|---|---|
| Calculated formula | C15 H18 Cl2 N O4 |
| SMILES | ClC1=C(Cl)C(NOC1(C)C)c1c(OC)cc(OC)cc1OC |
| Title of publication | C15H18Cl2NO4 |
| Authors of publication | Baird, Mark S.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1992 |
| Pages of publication | 1182 |
| a | 7.351 ± 0.004 Å |
| b | 13.523 ± 0.003 Å |
| c | 17.741 ± 0.004 Å |
| α | 68.88 ± 0.02° |
| β | 79.671 ± 0.011° |
| γ | 82.341 ± 0.018° |
| Cell volume | 1613.9 ± 1 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 | 0.2029 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.2518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.393 |
| 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. |
1519118.cif |
| 135420 | 2015-04-29 | cif/ Adding structures of 1519118 via cif-deposit CGI script. |
1519118.cif |
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Users of the data should acknowledge the original authors of the
structural data.