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Information card for entry 2108151
Preview
| Coordinates | 2108151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H12 K N2 O9 P |
|---|---|
| Calculated formula | C9 H12 K N2 O9 P |
| Title of publication | Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling |
| Authors of publication | Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 4 |
| Pages of publication | 550 - 564 |
| a | 8.0754 ± 0.0016 Å |
| b | 10.387 ± 0.002 Å |
| c | 16 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1342.1 ± 0.4 Å3 |
| Cell temperature | 10 K |
| Ambient diffraction temperature | 10 K |
| Number of distinct elements | 6 |
| 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 | 0.0827 |
| Residual factor for significantly intense reflections | 0.0811 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.74 |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199407 (current) | 2017-07-29 | cif/ hkl/ Adding structures of 2108150, 2108151, 2108152, 2108153, 2108154 via cif-deposit CGI script. |
2108151.cif |
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Users of the data should acknowledge the original authors of the
structural data.