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Information card for entry 2237798
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| Coordinates | 2237798.cif |
|---|---|
| Structure factors | 2237798.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6'-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-7'-(1<i>H</i>-indol-3-ylcarbonyl)-2-oxo-1-(prop-2-en-1-yl)-5',6',7',7a'-tetrahydro-1'<i>H</i>-spiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole]-7'-carbonitrile |
|---|---|
| Formula | C41 H32 N6 O2 S |
| Calculated formula | C41 H32 N6 O2 S |
| Title of publication | 6'-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-7'-(1<i>H</i>-indol-3-ylcarbonyl)-2-oxo-1-(prop-2-en-1-yl)-5',6',7',7a'-tetrahydro-1'<i>H</i>-spiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole]-7'-carbonitrile |
| Authors of publication | Kannan, Piskala Subburaman; Kathirvelan, Devaraj; Reddy, Boreddy Siva Rami; Govindan, Elumalai; SubbiahPandi, Arunachalathevar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | o857 - o858 |
| a | 10.7396 ± 0.001 Å |
| b | 16.3471 ± 0.0014 Å |
| c | 20.112 ± 0.002 Å |
| α | 90° |
| β | 105.485 ± 0.004° |
| γ | 90° |
| Cell volume | 3402.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1125 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181299 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/77. |
2237798.cif 2237798.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237798.cif 2237798.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237798.cif 2237798.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237798.cif 2237798.hkl |
| 86462 | 2013-07-11 | cif/ Adding structures of 2237798 via cif-deposit CGI script. |
2237798.cif |
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Users of the data should acknowledge the original authors of the
structural data.