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Information card for entry 2239493
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| Coordinates | 2239493.cif |
|---|---|
| Structure factors | 2239493.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>R</i>)-[(<i>R</i>)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methylsulfonyl)phenyl]methyl acetate |
|---|---|
| Formula | C20 H21 N O6 S |
| Calculated formula | C20 H21 N O6 S |
| SMILES | CC(=O)O[C@@H]([C@H]1COC(=O)N1Cc1ccccc1)c1ccc(cc1)S(=O)(=O)C |
| Title of publication | (<i>R</i>)-[(<i>R</i>)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methylsulfonyl)phenyl]methyl acetate |
| Authors of publication | Li, Feng; Zhao, Ming-Zhong; Jin, Chun-Hua; Zou, Jian-Wei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o606 |
| a | 5.837 ± 0.003 Å |
| b | 21.021 ± 0.01 Å |
| c | 7.884 ± 0.004 Å |
| α | 90° |
| β | 100.256 ± 0.007° |
| γ | 90° |
| Cell volume | 951.9 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.041 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239493.cif 2239493.hkl |
| 181313 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/94. |
2239493.cif 2239493.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239493.cif 2239493.hkl |
| 111750 | 2014-04-27 | cif/ hkl/ Adding structures of 2239493 via cif-deposit CGI script. |
2239493.cif 2239493.hkl |
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