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Information card for entry 2008239
Preview
| Coordinates | 2008239.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-methoxymethyl- 4-dimethylamino-(1H)-pyrimidin-2-one |
|---|---|
| Formula | C13 H21 N3 O5 |
| Calculated formula | C13 H21 N3 O5 |
| SMILES | n1(c(=O)nc(N(C)C)c(COC)c1)[C@H]1C[C@H](O)[C@H](O1)CO |
| Title of publication | <i>N</i>,<i>N</i>-Dimethyl-5-methoxymethyl-2'-deoxycytidine |
| Authors of publication | Audette, Gerald F.; Zoghaib, Wajdi M.; Gupta, Sagar V.; Quail, J. Wilson; Delbaere, Louis T. J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 3 |
| Pages of publication | 427 - 430 |
| a | 4.906 ± 0.003 Å |
| b | 14.838 ± 0.005 Å |
| c | 19.488 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1418.6 ± 1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.7093 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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