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Information card for entry 2010159
Preview
| Coordinates | 2010159.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4,4,8,8-tetrachloro-1,3,5,7-tetramethyl-cis-transoid-cis- tricyclo[5.1.0.0^3,5^]octane |
|---|---|
| Formula | C12 H16 Cl4 |
| Calculated formula | C12 H16 Cl4 |
| SMILES | C[C@]12C[C@@]3(C)C([C@]3(C[C@@]2(C1(Cl)Cl)C)C)(Cl)Cl |
| Title of publication | Three polyhalogenated tricyclo[5.1.0.0^3,5^]octane compounds |
| Authors of publication | Lynch, V. M.; Baran Jr, J. R.; Lagow, R. J.; Davis, Brian E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 11 |
| Pages of publication | 1765 - 1768 |
| a | 6.436 ± 0.004 Å |
| b | 6.954 ± 0.003 Å |
| c | 14.85 ± 0.009 Å |
| α | 90° |
| β | 100.33 ± 0.05° |
| γ | 90° |
| Cell volume | 653.9 ± 0.6 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 ± 1 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 all reflections | 0.0275 |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for all reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0333 |
| Goodness-of-fit parameter for significantly intense reflections | 1.361 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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