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Information card for entry 8101099
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| Coordinates | 8101099.cif |
|---|
| Formula | C14 H12 O3 |
|---|---|
| Calculated formula | C28 H24 O6 |
| SMILES | O1C(CC2=C1c1c(C(=O)C2=O)cccc1)(C)C |
| Title of publication | Crystal structure of 2,2-dimethyl-naphto[1,2b]1,2-dihydrofuran-4,5- dione, C~14~H~12~O~3~ |
| Authors of publication | Do Valle, N.T.; De Simone, Carlos A.; Pereira, Mariano A.; Pinto, A.V.; Malta, Valéria R.S. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 4 |
| Pages of publication | 603 - 604 |
| a | 6.958 ± 0.002 Å |
| b | 17.885 ± 0.002 Å |
| c | 18.008 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2241 ± 0.7 Å3 |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| 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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