Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518046
Preview
| Coordinates | 4518046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H17 Cl3 N2 O6 |
|---|---|
| Calculated formula | C13 H17 Cl3 N2 O6 |
| Title of publication | Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside |
| Authors of publication | Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe |
| Journal of publication | ACS Omega |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 38 |
| Pages of publication | 24746 - 24753 |
| a | 16.6577 ± 0.0003 Å |
| b | 9.0916 ± 0.0002 Å |
| c | 11.5007 ± 0.0002 Å |
| α | 90° |
| β | 102.302 ± 0.002° |
| γ | 90° |
| Cell volume | 1701.73 ± 0.06 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257074 (current) | 2020-10-04 | cif/ Updating files of 4518045, 4518046, 4518047 Original log message: Adding full bibliography for 4518045--4518047.cif. |
4518046.cif |
| 256458 | 2020-09-17 | cif/ Adding structures of 4518046 via cif-deposit CGI script. |
4518046.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.