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Information card for entry 7223943
Preview
| Coordinates | 7223943.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H11 N5 O5 |
|---|---|
| Calculated formula | C10 H11 N5 O5 |
| SMILES | O=C1NC(=O)N([C@H]2O[C@@]3(CO[C@H]2[C@@H]3N=N#N)CO)C=C1 |
| 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 | 6.5121 ± 0.0016 Å |
| b | 6.8206 ± 0.0014 Å |
| c | 13.045 ± 0.004 Å |
| α | 90° |
| β | 93.72 ± 0.03° |
| γ | 90° |
| Cell volume | 578.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0867 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1776 |
| Weighted residual factors for all reflections included in the refinement | 0.2016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| 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. |
7223943.cif |
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Users of the data should acknowledge the original authors of the
structural data.