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Information card for entry 2241101
Preview
| Coordinates | 2241101.cif |
|---|---|
| Structure factors | 2241101.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2-(4-Methoxystyryl)-3-methyl-1-phenylsulfonyl-1<i>H</i>-indole |
|---|---|
| Formula | C24 H21 N O3 S |
| Calculated formula | C24 H21 N O3 S |
| SMILES | c1(ccccc1)S(=O)(=O)n1c2ccccc2c(c1/C=C/c1ccc(cc1)OC)C |
| Title of publication | Crystal structure of (<i>E</i>)-2-(4-methoxystyryl)-3-methyl-1-phenylsulfonyl-1<i>H</i>-indole |
| Authors of publication | Umadevi, M.; Raju, P.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o723 - o724 |
| a | 27.373 ± 0.004 Å |
| b | 12.7232 ± 0.0016 Å |
| c | 12.0881 ± 0.0013 Å |
| α | 90° |
| β | 102.827 ± 0.006° |
| γ | 90° |
| Cell volume | 4104.9 ± 0.9 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1438 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1686 |
| Weighted residual factors for all reflections included in the refinement | 0.2306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241101.cif 2241101.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2241101.cif 2241101.hkl |
| 158356 | 2015-09-26 | cif/ hkl/ Adding structures of 2241101 via cif-deposit CGI script. |
2241101.cif 2241101.hkl |
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Users of the data should acknowledge the original authors of the
structural data.