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Information card for entry 7223942
Preview
| Coordinates | 7223942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H23 N3 O8 S |
|---|---|
| Calculated formula | C18 H23 N3 O8 S |
| SMILES | S(=O)(=O)(OC[C@@]1(O[C@@H]2OC(O[C@@H]2[C@H]1N=N#N)(C)C)COC(=O)C)c1ccc(C)cc1 |
| Title of publication | Synthesis of 3′-azido/-amino-xylobicyclonucleosides |
| Authors of publication | Kumar, Manish; Kumar, Rajesh; rana, neha; Prasad, Ashok K. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.9041 ± 0.001 Å |
| b | 10.0867 ± 0.0009 Å |
| c | 10.6948 ± 0.0009 Å |
| α | 90° |
| β | 94.617 ± 0.008° |
| γ | 90° |
| Cell volume | 1064.94 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0711 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1339 |
| Weighted residual factors for all reflections included in the refinement | 0.1647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.839 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174611 (current) | 2016-01-20 | cif/ Adding structures of 7223942, 7223943 via cif-deposit CGI script. |
7223942.cif |
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Users of the data should acknowledge the original authors of the
structural data.