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Information card for entry 2005185
Preview
| Coordinates | 2005185.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H11 Br4 N O2 |
|---|---|
| Calculated formula | C12 H11 Br4 N O2 |
| SMILES | N#C[C@]12[C@H]3OC(O[C@H]3[C@H]3[C@@H]([C@H]1C2(Br)Br)C3(Br)Br)(C)C |
| Title of publication | (3a<i>R</i>,3b<i>S</i>,4a<i>R</i>,4b<i>R</i>,5a<i>R</i>,5b<i>S</i>)-4,4,8,8-Tetrabromo-2,2-dimethylperhydrodicyclopropa[<i>e</i>,<i>g</i>][1,3]benzodioxole-3b-carbonitrile |
| Authors of publication | Banwell, M. G.; Forman, G. S.; Hockless, D. C. R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1804 - 1806 |
| a | 6.322 ± 0.001 Å |
| b | 13.476 ± 0.001 Å |
| c | 9.115 ± 0.002 Å |
| α | 90° |
| β | 106.54 ± 0.01° |
| γ | 90° |
| Cell volume | 744.4 ± 0.2 Å3 |
| Cell temperature | 213 ± 1 K |
| Ambient diffraction temperature | 213 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0325 |
| Goodness-of-fit parameter for significantly intense reflections | 2.798 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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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