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Information card for entry 2200514
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| Coordinates | 2200514.cif |
|---|---|
| Structure factors | 2200514.hkl |
| Original IUCr paper | HTML |
| Chemical name | α-bromoisopropyl phenyl sulfone |
|---|---|
| Formula | C9 H11 Br O2 S |
| Calculated formula | C9 H11 Br O2 S |
| SMILES | BrC(S(=O)(=O)c1ccccc1)(C)C |
| Title of publication | 2-Bromo-2-propyl phenyl sulfone |
| Authors of publication | Robinson, Paul D.; Parady, Thomas E.; Hou, Yuqing; Meyers, Cal Y. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 7 |
| Pages of publication | o584 - o586 |
| a | 21.134 ± 0.002 Å |
| b | 6.2537 ± 0.0011 Å |
| c | 7.979 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1054.6 ± 0.3 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.073 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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