Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160180
Preview
| Coordinates | 7160180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (R)-2-(uracil-1-yl)-(RP)-N-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane-2-yl)-(S)-6-hydroxymethyl-morpholine |
|---|---|
| Formula | C16 H24 N3 O5 P S2 |
| Calculated formula | C16 H24 N3 O5 P S2 |
| Title of publication | P-Stereodefined morpholino dinucleoside 3',5'-phosphorothioates. |
| Authors of publication | Jastrzębska, Katarzyna; Antończyk, Patrycja; Dolot, Rafał |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 44 |
| Pages of publication | 8737 - 8742 |
| a | 7.4472 ± 0.0002 Å |
| b | 6.4902 ± 0.0002 Å |
| c | 20.4323 ± 0.0005 Å |
| α | 90° |
| β | 91.566 ± 0.002° |
| γ | 90° |
| Cell volume | 987.2 ± 0.05 Å3 |
| Cell temperature | 293.88 ± 0.1 K |
| Ambient diffraction temperature | 293.88 ± 0.1 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 | 0.031 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.0768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296659 (current) | 2024-12-06 | cif/ Updating files of 7160179, 7160180 Original log message: Adding full bibliography for 7160179--7160180.cif. |
7160180.cif |
| 295470 | 2024-10-13 | cif/ Adding structures of 7160179, 7160180 via cif-deposit CGI script. |
7160180.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.