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Information card for entry 2019854
Preview
| Coordinates | 2019854.cif |
|---|---|
| Structure factors | 2019854.hkl |
| Original IUCr paper | HTML |
| Common name | Ethyl 2'',3-dioxo-1'',2'',3',3'a,4',6'-hexahydro-3<i>H</i>-dispiro[1-benzothiophene-2,2'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-1',3''-indole]-3'-carboxylate |
|---|---|
| Chemical name | 2'',3-Dioxo-7',7a'-dihydro-1'<i>H</i>,3<i>H</i>,3'<i>H</i>-dispiro[benzo[<i>b</i>]thiophene-2,6'-pyrrolo[1,2-<i>c</i>]thiazole-5',3''-indoline]-7'-carboxylate |
| Formula | C23 H20 N2 O4 S2 |
| Calculated formula | C23 H20 N2 O4 S2 |
| Title of publication | Crystal structure of ethyl 2′′,3-dioxo-7′,7a'-dihydro-1′H,3H,3′H-dispiro[benzo[b]thiophene-2,6′-pyrrolo[1,2-c]thiazole-5′,3′′-indoline]-7′-carboxylate |
| Authors of publication | Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | o148 |
| a | 11.8894 ± 0.0005 Å |
| b | 10.2181 ± 0.0004 Å |
| c | 17.5044 ± 0.0008 Å |
| α | 90° |
| β | 97.991 ± 0.002° |
| γ | 90° |
| Cell volume | 2105.91 ± 0.15 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0397 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0806 |
| Weighted residual factors for all reflections included in the refinement | 0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019854.cif 2019854.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019854.cif 2019854.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019854.cif 2019854.hkl |
| 131562 | 2015-02-08 | cif/ hkl/ Adding structures of 2019854 via cif-deposit CGI script. |
2019854.cif 2019854.hkl |
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Users of the data should acknowledge the original authors of the
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