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Information card for entry 2006083
Preview
| Coordinates | 2006083.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (3R),(2'S)-2'-N-Dibenzylamino-1,2:5,6-diisopropylidène-α-D-allofuranos-3- spiro-β-propiolactone |
|---|---|
| Formula | C28 H33 N O7 |
| Calculated formula | C28 H33 N O7 |
| SMILES | O=C1O[C@@]2([C@@H]1N(Cc1ccccc1)Cc1ccccc1)[C@H]1OC(O[C@H]1O[C@@H]2[C@H]1COC(O1)(C)C)(C)C |
| Title of publication | (3<i>R</i>,2'<i>S</i>)-2'-<i>N</i>-Dibenzylamino-1,2:5,6-di-<i>O</i>-isopropylidène-α-<small>D</small>-allofuranose-3-spiro-3'-β-propiolactone |
| Authors of publication | Chiaroni, A.; Riche, C.; Bouifraden, S.; Lavergne, J.-P.; Viallefont, P. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 457 - 459 |
| a | 32.156 ± 0.013 Å |
| b | 7.114 ± 0.002 Å |
| c | 12.118 ± 0.006 Å |
| α | 90° |
| β | 101.47 ± 0.06° |
| γ | 90° |
| Cell volume | 2717 ± 2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Goodness-of-fit parameter for significantly intense reflections | 1.09 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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