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Information card for entry 2000360
Preview
| Coordinates | 2000360.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C23 H32 O8 |
|---|---|
| Calculated formula | C24 H34 O8 |
| SMILES | COC(=O)C1(CC[C@@]2([C@@H](C1)C=C[C@@H]1[C@]2(C)CCC(C1)(C(=O)OC)C(=O)OC)C)C(=O)OC |
| Title of publication | Functionalized hydrocarbons with condensed ring skeletons. XII. A methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a vinylcyclododeca-3,9-diene, products from competing intramolecular Diels-Alder cycloadditions |
| Authors of publication | Drouin, M.; Lamothe, S.; Michel, A. G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 12 |
| Pages of publication | 2151 - 2154 |
| a | 13.1959 ± 0.0008 Å |
| b | 13.1959 ± 0.0008 Å |
| c | 26.6986 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4649.1 ± 0.4 Å3 |
| Number of distinct elements | 3 |
| Hermann-Mauguin space group symbol | P 42/m b c |
| Hall space group symbol | -P 4c 2ab |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | Cu |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.