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Information card for entry 7238778
Preview
| Coordinates | 7238778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 O6 S |
|---|---|
| Calculated formula | C12 H14 O6 S |
| Title of publication | Quantitative preparation of 3,4-di(methylene)tetrahydrothiophene-1,1-dioxide by Zn-induced 1,4-debromination. A valuable 6-C reactive diene in [4+2] cycloadditions with DMAD and [60]fullerene |
| Authors of publication | Markoulides, Marios S.; Ioannou, Charalambos P.; Manos, Manolis J.; Chronakis, Nikos |
| Journal of publication | RSC Advances |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 32 |
| Pages of publication | 12269 |
| a | 8.17 ± 0.002 Å |
| b | 7.029 ± 0.002 Å |
| c | 22.066 ± 0.004 Å |
| α | 90° |
| β | 97.99 ± 0.02° |
| γ | 90° |
| Cell volume | 1254.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.119 |
| Residual factor for significantly intense reflections | 0.0802 |
| Weighted residual factors for significantly intense reflections | 0.1921 |
| Weighted residual factors for all reflections included in the refinement | 0.2191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244346 (current) | 2019-11-28 | cif/ Adding structures of 7238778, 7238779 via cif-deposit CGI script. |
7238778.cif |
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Users of the data should acknowledge the original authors of the
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