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Information card for entry 1555314
Preview
| Coordinates | 1555314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 F3 N3 O5 |
|---|---|
| Calculated formula | C20 H18 F3 N3 O5 |
| SMILES | Fc1cc(O[C@@H]2[C@@H](N=N#N)[C@H](OC)O[C@H]3[C@H]2O[C@@H](OC3)c2ccccc2)c(F)c(F)c1 |
| Title of publication | Nucleophilic Aromatic Substitution (SNAr) as an Approach to Challenging Carbohydrate-Aryl Ethers. |
| Authors of publication | Henderson, Alexander S.; Medina, Sandra; Bower, John F.; Galan, M. Carmen |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 19 |
| Pages of publication | 4846 - 4849 |
| a | 8.1216 ± 0.0007 Å |
| b | 11.5944 ± 0.001 Å |
| c | 21.1982 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1996.1 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0555 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238464 (current) | 2019-11-24 | cif/ Adding structures of 1555314 via cif-deposit CGI script. |
1555314.cif |
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Users of the data should acknowledge the original authors of the
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