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Information card for entry 7053815
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| Coordinates | 7053815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 9-(4-methoxyphenyl)-9H-xanthen-9-ol 8-hydroxyquinoline clathrate |
|---|---|
| Formula | C24 H18.5 N O3.5 |
| Calculated formula | C24 H18.5 N O3.5 |
| Title of publication | Enclathration by a xanthenol host via solid–solid reactions: structures and kinetics |
| Authors of publication | Jacobs, Ayesha; Nassimbeni, Luigi R.; Nohako, Kanyisa L.; Ramon, Gaelle; Taljaard, Jana H. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2009 |
| Journal volume | 33 |
| Journal issue | 9 |
| Pages of publication | 1960 |
| a | 8.3982 ± 0.0017 Å |
| b | 8.9905 ± 0.0018 Å |
| c | 12.954 ± 0.003 Å |
| α | 96.36 ± 0.03° |
| β | 91.64 ± 0.03° |
| γ | 109.14 ± 0.03° |
| Cell volume | 916.1 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0796 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1349 |
| Weighted residual factors for all reflections included in the refinement | 0.1544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7053815.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7053815.cif |
| 96644 | 2014-01-29 | cif/ Adding structures of 7053814, 7053815, 7053816, 7053817 via cif-deposit CGI script. |
7053815.cif |
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Users of the data should acknowledge the original authors of the
structural data.