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Information card for entry 2240929
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| Coordinates | 2240929.cif |
|---|---|
| Structure factors | 2240929.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 8-Bromo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde |
|---|---|
| Formula | C10 H5 Br O3 |
| Calculated formula | C10 H5 Br O3 |
| SMILES | Brc1cccc2c(=O)c(coc12)C=O |
| Title of publication | Crystal structure of 8-bromo-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 | o572 - o573 |
| a | 27.908 ± 0.014 Å |
| b | 3.854 ± 0.003 Å |
| c | 19.145 ± 0.01 Å |
| α | 90° |
| β | 123.75 ± 0.04° |
| γ | 90° |
| Cell volume | 1712 ± 2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 significantly intense reflections | 0.0373 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240929.cif 2240929.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240929.cif 2240929.hkl |
| 152116 | 2015-07-16 | cif/ hkl/ Adding structures of 2240929 via cif-deposit CGI script. |
2240929.cif 2240929.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.