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Information card for entry 1548477
Preview
| Coordinates | 1548477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H23 N O3 |
|---|---|
| Calculated formula | C18 H23 N O3 |
| SMILES | O[C@H]1[C@@H](N([C@H]2[C@H]1OC(OC2)(C)C)Cc1ccccc1)CC#C |
| Title of publication | Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars |
| Authors of publication | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton |
| Journal of publication | Nature Communications |
| Year of publication | 2015 |
| Journal volume | 6 |
| Pages of publication | 6903 |
| a | 9.3102 ± 0.0003 Å |
| b | 9.6848 ± 0.0003 Å |
| c | 18.5136 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1669.32 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0351 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204345 (current) | 2017-12-19 | cif/ Adding structures of 1548477 via cif-deposit CGI script. |
1548477.cif |
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Users of the data should acknowledge the original authors of the
structural data.