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Information card for entry 1557691
Preview
| Coordinates | 1557691.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | trans-3-(4-Acetoxy-3-methoxyphenyl)-8-acetyloxy-2-methyl-2,3-dihydro- 1,4-benzodioxine |
|---|---|
| Formula | C20 H20 O7 |
| Calculated formula | C20 H20 O7 |
| SMILES | O=C(C)Oc1ccc(cc1OC)[C@H]1Oc2c(O[C@@H]1C)c(OC(=O)C)ccc2.O=C(C)Oc1ccc(cc1OC)[C@@H]1Oc2c(O[C@H]1C)c(OC(=O)C)ccc2 |
| Title of publication | Synthesis and Crystal Structure of trans-3-(4-Acetoxy-3-methoxyphenyl)-8-acetyloxy-2-methyl-2,3-dihydro- 1,4-benzodioxine |
| Authors of publication | Lariucci, Carlito; Inumaru, Aurea Tamae; Barata, Lauro Euclides Soares; de Azevedo, Neucirio Ricardo; Ferri, Pedro Henrique |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1996 |
| Journal volume | 50 |
| Pages of publication | 1025 - 1029 |
| a | 11.524 ± 0.002 Å |
| b | 11.959 ± 0.002 Å |
| c | 14.284 ± 0.001 Å |
| α | 90° |
| β | 109.14 ± 0.01° |
| γ | 90° |
| Cell volume | 1859.7 ± 0.5 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249858 (current) | 2020-03-31 | cif/ Adding structures of 1557691 via cif-deposit CGI script. |
1557691.cif |
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Users of the data should acknowledge the original authors of the
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