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Information card for entry 2007118
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| Coordinates | 2007118.cif |
|---|---|
| Structure factors | 2007118.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1R)-1-[(2R,4R,5S)-5-Phenyl-3-(toluene-4-sulfonyl)-oxazolidin-2-yl] -indan-2-one |
|---|---|
| Formula | C26 H25 N O4 S |
| Calculated formula | C26 H25 N O4 S |
| SMILES | O1[C@H]([C@@H]2C(=O)Cc3ccccc23)N(S(=O)(=O)c2ccc(C)cc2)[C@H](C)[C@H]1c1ccccc1 |
| Title of publication | (1<i>R</i>)-1-[(2<i>R</i>,4<i>R</i>,5<i>S</i>)-4-Methyl-5-phenyl-3-tosyl-1,3-oxazolidin-2-yl]indan-2-one |
| Authors of publication | Berger, Bernd; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | IUC9800006 |
| a | 12.335 ± 0.003 Å |
| b | 14.052 ± 0.001 Å |
| c | 13.492 ± 0.003 Å |
| α | 90° |
| β | 91.68 ± 0.01° |
| γ | 90° |
| Cell volume | 2337.6 ± 0.8 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0311 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for all reflections included in the refinement | 0.0828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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