Information card for entry 2006979
| Formula |
C12 H10 Br2 O3 |
| Calculated formula |
C12 H10 Br2 O3 |
| SMILES |
Br[C@]12[C@@H]3C=C(Br)C(=O)[C@@H]3[C@H](C=C1)C12OCCO1.Br[C@@]12[C@H]3C=C(Br)C(=O)[C@H]3[C@@H](C=C1)C12OCCO1 |
| Title of publication |
<i>endo</i>-2,4-Dibromo-3a,4,7,7a-tetrahydro-4,7-methanoindene-1,8-dione 8-Ethylene Acetal |
| Authors of publication |
Gable, Robert W.; Lowe, David A.; Tsanaktsidis, John |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1998 |
| Journal volume |
54 |
| Journal issue |
1 |
| Pages of publication |
151 - 152 |
| a |
6.251 ± 0.0011 Å |
| b |
8.187 ± 0.002 Å |
| c |
11.784 ± 0.002 Å |
| α |
91.43 ± 0.02° |
| β |
94.74 ± 0.02° |
| γ |
90.56 ± 0.02° |
| Cell volume |
600.8 ± 0.2 Å3 |
| Cell temperature |
293 ± 1 K |
| Ambient diffraction temperature |
293 ± 1 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0488 |
| Residual factor for significantly intense reflections |
0.0345 |
| Weighted residual factors for all reflections |
0.0875 |
| Weighted residual factors for significantly intense reflections |
0.0808 |
| Goodness-of-fit parameter for all reflections |
1.073 |
| Goodness-of-fit parameter for significantly intense reflections |
1.115 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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