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Information card for entry 7120800
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| Coordinates | 7120800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-(((1R, 2R)-2-(tert-butoxy)cyclopropyl)sulfonyl)-4-methylbenzene |
|---|---|
| Formula | C14 H20 O3 S |
| Calculated formula | C14 H20 O3 S |
| SMILES | [C@@H]1([C@@H](C1)OC(C)(C)C)S(=O)(=O)c1ccc(cc1)C |
| Title of publication | Highly Stereoselective Cyclopropanation of Various Olefins with Diazosulfones Catalyzed by Ru(II)‒Pheox Complexes |
| Authors of publication | Kotozaki, Manato; Chanthamath, Soda; Fujisawa, Ikuhide; Shibatomi, Kazutaka; Iwasa, Seiji |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 16.72 ± 0.007 Å |
| b | 9.987 ± 0.004 Å |
| c | 8.832 ± 0.004 Å |
| α | 90° |
| β | 90.306 ± 0.009° |
| γ | 90° |
| Cell volume | 1474.8 ± 1.1 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0581 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1275 |
| Weighted residual factors for all reflections included in the refinement | 0.1375 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202138 (current) | 2017-10-19 | cif/ Adding structures of 7120800 via cif-deposit CGI script. |
7120800.cif |
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