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Information card for entry 2240908
Preview
| Coordinates | 2240908.cif |
|---|---|
| Structure factors | 2240908.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 7,8-Dichloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde |
|---|---|
| Formula | C10 H4 Cl2 O3 |
| Calculated formula | C10 H4 Cl2 O3 |
| SMILES | Clc1ccc2c(=O)c(coc2c1Cl)C=O |
| Title of publication | Crystal structure of 7,8-dichloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde |
| Authors of publication | Ishikawa, Yoshinobu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | 902 - 905 |
| a | 23.091 ± 0.007 Å |
| b | 3.7704 ± 0.0018 Å |
| c | 10.729 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 934.1 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for all reflections included in the refinement | 0.0565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240908.cif 2240908.hkl |
| 181909 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240908.cif 2240908.hkl |
| 140992 | 2015-07-08 | cif/ hkl/ Adding structures of 2240908 via cif-deposit CGI script. |
2240908.cif 2240908.hkl |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.