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Information card for entry 1548478
Preview
| Coordinates | 1548478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H27 N O3 |
|---|---|
| Calculated formula | C22 H27 N O3 |
| SMILES | O1C[C@H]2N([C@H]([C@@H]([C@@H]2OC1(C)C)O)Cc1ccccc1)Cc1ccccc1 |
| 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 | 30.107 ± 0.003 Å |
| b | 5.8007 ± 0.0005 Å |
| c | 11.5447 ± 0.001 Å |
| α | 90° |
| β | 99.634 ± 0.004° |
| γ | 90° |
| Cell volume | 1987.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.1244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204346 (current) | 2017-12-19 | cif/ Adding structures of 1548478 via cif-deposit CGI script. |
1548478.cif |
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