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Information card for entry 2207032
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| Coordinates | 2207032.cif |
|---|---|
| Structure factors | 2207032.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2RS,3SR)-Diethyl 2,3-bis(3,4,5-trimethoxybenzoyl)succinate |
|---|---|
| Formula | C28 H34 O12 |
| Calculated formula | C28 H34 O12 |
| SMILES | COc1cc(cc(c1OC)OC)C(=O)[C@@H](C(=O)OCC)[C@@H](C(=O)OCC)C(=O)c1cc(c(c(c1)OC)OC)OC |
| Title of publication | (2<i>RS</i>,3<i>SR</i>)-Diethyl 2,3-bis(3,4,5-trimethoxybenzoyl)succinate |
| Authors of publication | Meng, Xiang-Gao; Wu, An-Xin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3117 - o3118 |
| a | 14.873 ± 0.0014 Å |
| b | 7.9521 ± 0.0008 Å |
| c | 23.763 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2810.5 ± 0.5 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0679 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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