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Information card for entry 2200543
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| Coordinates | 2200543.cif |
|---|---|
| Structure factors | 2200543.hkl |
| Original IUCr paper | HTML |
| Chemical name | [3E]-3-deoxy-3-C-ethoxycarbonylmethylene-1,2:5,6-di-O-isopropylidene- α-D-ribohexofuranose |
|---|---|
| Formula | C16 H24 O7 |
| Calculated formula | C16 H24 O7 |
| SMILES | O1[C@H]2O[C@@H](C(=C/C(=O)OCC)/[C@H]2OC1(C)C)[C@@H]1OC(OC1)(C)C |
| Title of publication | [3E]-3-Deoxy-3-<i>C</i>-ethoxycarbonylmethylene-1,2:5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-ribohexofuranose |
| Authors of publication | Linden, Anthony; Lee, C. Kuan; Siew, Kum Fong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 7 |
| Pages of publication | o594 - o595 |
| a | 5.929 ± 0.002 Å |
| b | 14.133 ± 0.002 Å |
| c | 10.3892 ± 0.0012 Å |
| α | 90° |
| β | 95.065 ± 0.016° |
| γ | 90° |
| Cell volume | 867.2 ± 0.3 Å3 |
| Cell temperature | 273 ± 1 K |
| Ambient diffraction temperature | 273 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1424 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for all reflections included in the refinement | 0.2001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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