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Information card for entry 2011717
Preview
| Coordinates | 2011717.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C23 H23 N O2 S Si |
|---|---|
| Calculated formula | C23 H23 N O2 S Si |
| SMILES | S(=O)(=O)(N1[C@@H]2C[Si](C[C@H]12)(c1ccccc1)c1ccccc1)c1ccc(cc1)C |
| Title of publication | 3,3-Diphenyl-6-(<i>p</i>-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane |
| Authors of publication | Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | 120 - 122 |
| a | 9.4105 ± 0.0002 Å |
| b | 8.6979 ± 0.0001 Å |
| c | 26.7515 ± 0.0005 Å |
| α | 90° |
| β | 95.993 ± 0.001° |
| γ | 90° |
| Cell volume | 2177.69 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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