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Information card for entry 7229766
Preview
| Coordinates | 7229766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | quinoline-8-ol |
|---|---|
| Chemical name | 8-hydroxyquinoline |
| Formula | C9 H7 N O |
| Calculated formula | C9 H7 N O |
| SMILES | Oc1cccc2cccnc12 |
| Title of publication | Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline |
| Authors of publication | Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 5 |
| Pages of publication | 652 |
| a | 24.934 ± 0.0004 Å |
| b | 28.5658 ± 0.0004 Å |
| c | 3.7778 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2690.77 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229766.cif |
| 228956 | 2019-11-17 | cif/ Updating files of 7229766, 7229767 Original log message: Adding full bibliography for 7229766--7229767.cif. |
7229766.cif |
| 204502 | 2017-12-23 | cif/ Adding structures of 7229766, 7229767 via cif-deposit CGI script. |
7229766.cif |
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.