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Information card for entry 2020317
Preview
| Coordinates | 2020317.cif |
|---|---|
| Structure factors | 2020317.hkl |
| Original IUCr paper | HTML |
| Common name | Thymidine 3':5'-cyclic phosphate sodium salt heptahydrate |
|---|---|
| Chemical name | Sodium thymidine 3':5'-cyclic phosphate heptahydrate |
| Formula | C10 H26 N2 Na O14 P |
| Calculated formula | C10 H26 N2 Na O14 P |
| SMILES | P1(=O)([O-])O[C@H]2C[C@@H](O[C@@H]2CO1)N1C(=O)NC(=O)C(=C1)C.[Na+].O.O.O.O.O.O.O |
| Title of publication | 3':5'-Cyclic nucleotides: two sodium salts of cdTMP |
| Authors of publication | Ślepokura, Katarzyna Anna |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 35 - 47 |
| a | 11.307 ± 0.003 Å |
| b | 6.17 ± 0.002 Å |
| c | 14.678 ± 0.004 Å |
| α | 90° |
| β | 111.06 ± 0.03° |
| γ | 90° |
| Cell volume | 955.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0283 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0699 |
| Weighted residual factors for all reflections included in the refinement | 0.0708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181873 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03 |
2020317.cif 2020317.hkl |
| 176617 | 2016-02-17 | cif/ Updating files of 2020317, 2020318 Original log message: Adding full bibliography for 2020317--2020318.cif. |
2020317.cif 2020317.hkl |
| 176566 | 2016-02-17 | cif/ Updating files of 2020317, 2020318 Original log message: Adding full bibliography for 2020317--2020318.cif. |
2020317.cif 2020317.hkl |
| 171581 | 2015-12-18 | cif/ hkl/ Adding structures of 2020317, 2020318 via cif-deposit CGI script. |
2020317.cif 2020317.hkl |
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Users of the data should acknowledge the original authors of the
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