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Information card for entry 4035294
Preview
| Coordinates | 4035294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N5 O3 |
|---|---|
| Calculated formula | C16 H15 N5 O3 |
| SMILES | O=C(Nc1ncnc2n([C@@H]3OC[C@H](O)C3)cnc12)c1ccccc1 |
| Title of publication | Synthesis of 2'-Deoxy-α-l-threofuranosyl Nucleoside Triphosphates. |
| Authors of publication | Bala, Saikat; Liao, Jen-Yu; Zhang, Li; Tran, Chantel N.; Chim, Nicholas; Chaput, John C. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 16 |
| Pages of publication | 8840 - 8850 |
| a | 6.817 ± 0.004 Å |
| b | 7.077 ± 0.004 Å |
| c | 15.985 ± 0.009 Å |
| α | 90° |
| β | 101.96 ± 0.007° |
| γ | 90° |
| Cell volume | 754.4 ± 0.7 Å3 |
| Cell temperature | 88 ± 2 K |
| Ambient diffraction temperature | 88 ± 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 | 0.0324 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226758 (current) | 2019-11-11 | cif/ Adding structures of 4035294 via cif-deposit CGI script. |
4035294.cif |
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Users of the data should acknowledge the original authors of the
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