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Information card for entry 2241280
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| Coordinates | 2241280.cif |
|---|---|
| Structure factors | 2241280.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[2-Phenyl-1-(phenylsulfonyl)ethyl]-1-phenylsulfonyl-1<i>H</i>-indole |
|---|---|
| Formula | C28 H23 N O4 S2 |
| Calculated formula | C28 H23 N O4 S2 |
| SMILES | c1(ccccc1)S(=O)(=O)n1c2ccccc2cc1C(Cc1ccccc1)S(=O)(=O)c1ccccc1 |
| Title of publication | Crystal structure of 2-[2-phenyl-1-(phenylsulfonyl)ethyl]-1-phenylsulfonyl-1<i>H</i>-indole |
| Authors of publication | Umadevi, M.; Raju, Potharaju; Yamuna, R.; Mohanakrishnan, Arasambattu K.; Chakkaravarthi, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o910 - o911 |
| a | 9.7485 ± 0.0006 Å |
| b | 10.493 ± 0.0006 Å |
| c | 12.2879 ± 0.0006 Å |
| α | 94.479 ± 0.003° |
| β | 96.926 ± 0.003° |
| γ | 102.253 ± 0.003° |
| Cell volume | 1212.36 ± 0.12 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.1093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241280.cif 2241280.hkl |
| 170165 | 2015-11-07 | cif/ hkl/ Adding structures of 2241280 via cif-deposit CGI script. |
2241280.cif 2241280.hkl |
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Users of the data should acknowledge the original authors of the
structural data.