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Information card for entry 7240369
Preview
| Coordinates | 7240369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1'-Homo-N-2'-deoxy-alfa-adenosine |
|---|---|
| Formula | C11 H15 N5 O3 |
| Calculated formula | C11 H15 N5 O3 |
| SMILES | n1cnc2n(cnc2c1N)C[C@@H]1C[C@@H]([C@@H](CO)O1)O |
| Title of publication | Novel 1′-homo-N-2′-deoxy-α-nucleosides: synthesis, characterization and biological activity |
| Authors of publication | Carnero, Alejandro; Martín-Nieves, Virginia; Sanghvi, Yogesh S.; Russel, Olivia O.; Bassit, Leda; Schinazi, Raymond F.; Fernández, Susana; Ferrero, Miguel |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 27 |
| Pages of publication | 15815 - 15824 |
| a | 15.8711 ± 0.0006 Å |
| b | 8.04111 ± 0.00018 Å |
| c | 16.4342 ± 0.0005 Å |
| α | 90° |
| β | 117.058 ± 0.004° |
| γ | 90° |
| Cell volume | 1867.79 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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 |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240369.cif |
| 257988 | 2020-10-06 | cif/ Updating files of 7240369 Original log message: Adding full bibliography for 7240369.cif. |
7240369.cif |
| 251003 | 2020-04-22 | cif/ Adding structures of 7240369 via cif-deposit CGI script. |
7240369.cif |
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Users of the data should acknowledge the original authors of the
structural data.