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Information card for entry 7152769
Preview
| Coordinates | 7152769.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H11 F N2 O5 |
|---|---|
| Calculated formula | C9 H11 F N2 O5 |
| SMILES | N1(C(=O)NC(=O)C=C1)[C@H]1[C@H](O)[C@H](F)[C@H](O1)CO |
| Title of publication | Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides. |
| Authors of publication | Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2013 |
| Journal volume | 11 |
| Journal issue | 5 |
| Pages of publication | 746 - 757 |
| a | 15.4056 ± 0.0004 Å |
| b | 6.8529 ± 0.0002 Å |
| c | 15.8005 ± 0.0004 Å |
| α | 90° |
| β | 116.019 ± 0.001° |
| γ | 90° |
| Cell volume | 1499.04 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7152769.cif |
| 180313 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/27. |
7152769.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152769.cif |
| 73762 | 2013-02-21 | cif/ Adding structures of 7152769, 7152770 via cif-deposit CGI script. |
7152769.cif |
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Users of the data should acknowledge the original authors of the
structural data.