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Information card for entry 2241403
Preview
| Coordinates | 2241403.cif |
|---|---|
| Structure factors | 2241403.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-Diethyl 2-[(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)methylidene]succinate |
|---|---|
| Formula | C23 H23 N O6 S |
| Calculated formula | C23 H23 N O6 S |
| Title of publication | Crystal structure of (<i>E</i>)-diethyl 2-[(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)methylidene]succinate |
| 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 | o1029 - o1030 |
| a | 8.3458 ± 0.0008 Å |
| b | 24.657 ± 0.002 Å |
| c | 10.9448 ± 0.0009 Å |
| α | 90° |
| β | 91.121 ± 0.003° |
| γ | 90° |
| Cell volume | 2251.8 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0921 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1175 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241403.cif 2241403.hkl |
| 171487 | 2015-12-13 | cif/ hkl/ Adding structures of 2241403 via cif-deposit CGI script. |
2241403.cif 2241403.hkl |
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Users of the data should acknowledge the original authors of the
structural data.