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Information card for entry 2005111
Preview
| Coordinates | 2005111.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C23 H20 O4 |
|---|---|
| Calculated formula | C23 H20 O4 |
| SMILES | [C@@H]12C(=O)C[C@@](C(=C1C(=O)c1ccccc1)C(=O)c1ccccc1)(CC2)OC.[C@H]12C(=O)C[C@](C(=C1C(=O)c1ccccc1)C(=O)c1ccccc1)(CC2)OC |
| Title of publication | A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative |
| Authors of publication | Mostafa, G.; Ray, S.; Singh, R.; Lahiri, S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1747 - 1750 |
| a | 11.059 ± 0.004 Å |
| b | 14.188 ± 0.005 Å |
| c | 11.996 ± 0.005 Å |
| α | 90° |
| β | 102.39 ± 0.03° |
| γ | 90° |
| Cell volume | 1838.4 ± 1.2 Å3 |
| Cell temperature | 300 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.052 |
| Goodness-of-fit parameter for significantly intense reflections | 1.169 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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