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Information card for entry 1548480
Preview
| Coordinates | 1548480.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H16 N O3 |
|---|---|
| Calculated formula | C10 H16 N O3 |
| SMILES | OC[C@H]1N2[C@H]([C@H](O)[C@@H]1O)CCC[C@@H]2C |
| 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 | 5.0728 ± 0.0003 Å |
| b | 14.5938 ± 0.0007 Å |
| c | 15.1058 ± 0.0008 Å |
| α | 83.648 ± 0.003° |
| β | 81.203 ± 0.003° |
| γ | 83.714 ± 0.003° |
| Cell volume | 1093.47 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0708 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.2111 |
| Weighted residual factors for all reflections included in the refinement | 0.2158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204348 (current) | 2017-12-19 | cif/ Adding structures of 1548480 via cif-deposit CGI script. |
1548480.cif |
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Users of the data should acknowledge the original authors of the
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