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Information card for entry 2200346
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| Coordinates | 2200346.cif |
|---|---|
| Structure factors | 2200346.hkl |
| Original IUCr paper | HTML |
| Chemical name | (R,R)-1,3-Bis(phenylsulfinyl)propane |
|---|---|
| Formula | C15 H16 O2 S2 |
| Calculated formula | C15 H16 O2 S2 |
| SMILES | S(=O)(CCCS(=O)c1ccccc1)c1ccccc1 |
| Title of publication | (<i>R</i>,<i>R</i>)-1,3-Bis(phenylsulfinyl)propane |
| Authors of publication | Wei Chen; Miao Du; Wei Weng; Ruo-Hua Zhang; Xian-He Bu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | o430 - o431 |
| a | 8.444 ± 0.004 Å |
| b | 15.58 ± 0.007 Å |
| c | 11.579 ± 0.006 Å |
| α | 90° |
| β | 110.333 ± 0.009° |
| γ | 90° |
| Cell volume | 1428.4 ± 1.2 Å3 |
| Cell temperature | 293 ± 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 | 0.052 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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