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Information card for entry 2101444
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| Coordinates | 2101444.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C22 H20 O6 |
|---|---|
| Calculated formula | C22 H20 O6 |
| SMILES | COC(=O)C1=C(C(=O)OC)[C@H]2c3c([C@@H]1c1c2c(OC)ccc1)c(OC)ccc3.COC(=O)C1=C(C(=O)OC)[C@@H]2c3c([C@H]1c1c2c(OC)ccc1)c(OC)ccc3 |
| Title of publication | Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes |
| Authors of publication | Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 1 |
| Pages of publication | 151 - 158 |
| a | 14.9 ± 0.002 Å |
| b | 15.128 ± 0.009 Å |
| c | 8.809 ± 0.003 Å |
| α | 105.03 ± 0.03° |
| β | 90.22 ± 0.02° |
| γ | 82.79 ± 0.03° |
| Cell volume | 1901.7 ± 1.4 Å3 |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Diffraction radiation wavelength | 1.54184 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.