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Information card for entry 2008163
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| Coordinates | 2008163.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | [2S,2(1R),2(2R),4R]-2-ethyl-2-(2-hydroxy-1-methyl-2-phenylpropyl- 3-tosyl-4-phenyl-1,3-oxazolidine |
|---|---|
| Formula | C28 H33 N O4 S |
| Calculated formula | C28 H33 N O4 S |
| SMILES | O1[C@]([C@@H]([C@@](O)(C)c2ccccc2)C)(CC)N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1 |
| Title of publication | Three 3-arylsulfonyl-1,3-oxazolidines |
| Authors of publication | Bolte, Michael; Monz, Sabine; Wagner, Kerstin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 222 - 226 |
| a | 8.111 ± 0.001 Å |
| b | 13.449 ± 0.002 Å |
| c | 24.09 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2627.9 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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