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Information card for entry 2242220
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| Coordinates | 2242220.cif |
|---|---|
| Structure factors | 2242220.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 5-<i>O</i>-Benzoyl-2,3-<i>O</i>-isopropylidene-<i>D</i>-ribono-1,4-lactone |
|---|---|
| Formula | C15 H16 O6 |
| Calculated formula | C15 H16 O6 |
| SMILES | O(C(=O)c1ccccc1)C[C@H]1OC(=O)[C@@H]2OC(O[C@H]12)(C)C |
| Title of publication | Crystal structure of 5-<i>O</i>-benzoyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-ribono-1,4-lactone |
| Authors of publication | Bortoluzzi, Adailton J.; Silveira, Gustavo P.; Sá, Marcus M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 3 |
| Pages of publication | 407 - 409 |
| a | 5.7574 ± 0.0001 Å |
| b | 12.5703 ± 0.0003 Å |
| c | 20.1888 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1461.11 ± 0.05 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0238 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199185 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242220 via cif-deposit CGI script. |
2242220.cif 2242220.hkl |
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Users of the data should acknowledge the original authors of the
structural data.