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Information card for entry 7221551
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| Coordinates | 7221551.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3-HQ |
|---|---|
| Chemical name | 3-Hydroxyquinolones |
| Formula | C16 H13 N O2 |
| Calculated formula | C16 H13 N O2 |
| SMILES | c1(c(c(=O)c2ccccc2n1C)O)c1ccccc1 |
| Title of publication | Acid-base and coordination properties of 2-phenyl-3-hydroxy-4-quinolones in aqueous media |
| Authors of publication | Jiménez-Sánchez, Arturo; Yatsimirsky, Anatoly K. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 9.0099 ± 0.0012 Å |
| b | 9.0949 ± 0.0015 Å |
| c | 9.526 ± 0.002 Å |
| α | 115.448 ± 0.019° |
| β | 114.236 ± 0.018° |
| γ | 96.055 ± 0.013° |
| Cell volume | 603.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0708 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1538 |
| Weighted residual factors for all reflections included in the refinement | 0.1738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 152075 (current) | 2015-07-15 | cif/ Adding structures of 7221551 via cif-deposit CGI script. |
7221551.cif |
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Users of the data should acknowledge the original authors of the
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