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Information card for entry 7158078
Preview
| Coordinates | 7158078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H26 N2 O9 S |
|---|---|
| Calculated formula | C33 H26 N2 O9 S |
| SMILES | s1c(C)c2C(=O)NC(=O)N(c2c1)[C@@H]1O[C@@H]([C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)COC(=O)c1ccccc1 |
| Title of publication | Cytidine Deaminase Can Deaminate Fused Pyrimidine Ribonucleosides |
| Authors of publication | Ludford III, Paul T; Li, Yao; Yang, Shenghua; Tor, Yitzhak |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2021 |
| a | 5.4048 ± 0.0001 Å |
| b | 13.6367 ± 0.0004 Å |
| c | 20.6903 ± 0.0006 Å |
| α | 71.195 ± 0.001° |
| β | 85.372 ± 0.001° |
| γ | 85.751 ± 0.001° |
| Cell volume | 1436.97 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0285 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0695 |
| Weighted residual factors for all reflections included in the refinement | 0.0701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265165 (current) | 2021-05-13 | cif/ Adding structures of 7158078 via cif-deposit CGI script. |
7158078.cif |
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Users of the data should acknowledge the original authors of the
structural data.