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Information card for entry 2005591
Preview
| Coordinates | 2005591.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C25 H29 N O3 Sn |
|---|---|
| Calculated formula | C25 H29 N O3 Sn |
| SMILES | [Sn](c1n(cc(c1C(=O)c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C)(C)(C)C |
| Title of publication | An Unexpected Trimethylstannylpyrrole from a Stannylated Derivative of Tosylmethyl Isocyanide (TosMIC) and Chalcone |
| Authors of publication | Meetsma, A.; Dijkstra, H. P.; ten Have, R.; van Leusen, A. M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 11 |
| Pages of publication | 2747 - 2750 |
| a | 13.495 ± 0.001 Å |
| b | 9.666 ± 0.01 Å |
| c | 19.718 ± 0.001 Å |
| α | 90° |
| β | 109.108 ± 0.005° |
| γ | 90° |
| Cell volume | 2430 ± 3 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for all reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.0586 |
| Goodness-of-fit parameter for all reflections | 1.071 |
| Goodness-of-fit parameter for significantly intense reflections | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.