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Information card for entry 2012306
Preview
| Coordinates | 2012306.cif |
|---|---|
| Structure factors | 2012306.hkl |
| Original IUCr paper | HTML |
| Formula | C18 H18 O8 |
|---|---|
| Calculated formula | C18 H18 O8 |
| SMILES | O([C@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@@H]2OC(=O)C(=C12)C(=O)OC)C |
| Title of publication | A novel glycoside lactone derivative with a 2-C-unsaturated diester substituent |
| Authors of publication | Zhang, Fuyi; Du, Chen-xia; Liu, Hong-Min; Zhu, Yu |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 11 |
| Pages of publication | 1361 - 1362 |
| a | 22.469 ± 0.005 Å |
| b | 4.6467 ± 0.0009 Å |
| c | 16.501 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1722.8 ± 0.6 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.0708 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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