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Information card for entry 2200494
Preview
| Coordinates | 2200494.cif |
|---|---|
| Structure factors | 2200494.hkl |
| Original IUCr paper | HTML |
| Formula | C14 H14 Cl4 O2 |
|---|---|
| Calculated formula | C14 H14 Cl4 O2 |
| SMILES | Cl[C@]12C(=C(Cl)[C@](Cl)([C@@H]3[C@H]4C=C[C@@H]([C@H]13)C4)C2(OC)OC)Cl |
| Title of publication | 1,2,3,4-Tetrachloro-11,11-dimethoxy-1,4,5,6,9,10-hexahydro-<i>endo</i>-1,4-<i>exo</i>-6,9-dimethanonaphthalene |
| Authors of publication | Blake, Alexander J.; Dietel, Anja; Li, Wan-Sheung; Thomas, Neil R.; Marr, Andrew C. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 8 |
| Pages of publication | o790 - o791 |
| a | 13.259 ± 0.005 Å |
| b | 14.383 ± 0.004 Å |
| c | 15.635 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2981.7 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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