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Information card for entry 1573580
Preview
| Coordinates | 1573580.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 4-Chlorocurcumin |
|---|---|
| Chemical name | 4-Chloro-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one |
| Formula | C21 H19 Cl O6 |
| Calculated formula | C21 H19 Cl O6 |
| SMILES | Cl/C(C(=O)/C=C/c1ccc(O)c(OC)c1)=C(\C=C\c1ccc(O)c(OC)c1)O |
| Title of publication | 4-Chlorocurcumin |
| Authors of publication | Pham, Phuong-Truc T.; Bader, Mamoun M. |
| Journal of publication | IUCrData |
| Year of publication | 2025 |
| Journal volume | 10 |
| Journal issue | 1 |
| a | 16.752 ± 0.0003 Å |
| b | 7.27831 ± 0.00016 Å |
| c | 15.9369 ± 0.0003 Å |
| α | 90° |
| β | 100.013 ± 0.0017° |
| γ | 90° |
| Cell volume | 1913.53 ± 0.07 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.0403 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297062 (current) | 2025-01-04 | cif/ Adding structures of 1573580 via cif-deposit CGI script. |
1573580.cif |
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Users of the data should acknowledge the original authors of the
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