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Information card for entry 1554924
Preview
| Coordinates | 1554924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H29 F N2 O5 Si |
|---|---|
| Calculated formula | C19 H29 F N2 O5 Si |
| SMILES | C[Si](C)(C(C)(C)C)O[C@]12C[C@H]1C[C@]1([C@@H]2O[C@H]([C@@H]1F)N1C(=O)NC(=O)C(=C1)C)O |
| Title of publication | 2'-Fluorination of tricyclo-DNA controls furanose conformation and increases RNA affinity. |
| Authors of publication | Istrate, Alena; Medvecky, Michal; Leumann, Christian J. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 1950 - 1953 |
| a | 6.42 ± 0.0003 Å |
| b | 8.0707 ± 0.0003 Å |
| c | 40.1927 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2082.54 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0472 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.0995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554924.cif |
| 238212 | 2019-11-24 | cif/ Adding structures of 1554924 via cif-deposit CGI script. |
1554924.cif |
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Users of the data should acknowledge the original authors of the
structural data.