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Information card for entry 2312020
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| Coordinates | 2312020.cif |
|---|---|
| Structure factors | 2312020.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-(Dibenzofuran-4-yl)-2'-deoxyuridine |
|---|---|
| Formula | C21 H18 N2 O6 |
| Calculated formula | C21 H18 N2 O6 |
| SMILES | OC[C@H]1O[C@@H](N2C=C(C(=O)NC2=O)c2c3oc4ccccc4c3ccc2)C[C@@H]1O |
| Title of publication | Crystal structure of 5-(dibenzo-furan-4-yl)-2'-deoxy-uridine. |
| Authors of publication | Gayakhe, Vijay; Kapdi, Anant Ramakant; Borozdina, Yulia; Schulzke, Carola |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 10 |
| Pages of publication | 1493 - 1496 |
| a | 6.2899 ± 0.0013 Å |
| b | 15.167 ± 0.003 Å |
| c | 17.938 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1711.3 ± 0.6 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.0848 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246249 (current) | 2019-12-27 | cif/ hkl/ Adding structures of 2312020 via cif-deposit CGI script. |
2312020.cif 2312020.hkl |
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Users of the data should acknowledge the original authors of the
structural data.