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Information card for entry 2241009
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| Coordinates | 2241009.cif |
|---|---|
| Structure factors | 2241009.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,7-Dichloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde |
|---|---|
| Formula | C10 H4 Cl2 O3 |
| Calculated formula | C10 H4 Cl2 O3 |
| SMILES | Clc1cc2c(=O)c(coc2cc1Cl)C=O |
| Title of publication | Crystal structure of 6,7-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 | 9 |
| Pages of publication | o652 - o653 |
| a | 3.7695 ± 0.0013 Å |
| b | 6.1465 ± 0.0016 Å |
| c | 39.431 ± 0.013 Å |
| α | 90° |
| β | 90.72 ± 0.03° |
| γ | 90° |
| Cell volume | 913.5 ± 0.5 Å3 |
| Cell temperature | 140 K |
| Ambient diffraction temperature | 140 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241009.cif 2241009.hkl |
| 153396 | 2015-08-13 | cif/ hkl/ Adding structures of 2241009 via cif-deposit CGI script. |
2241009.cif 2241009.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.