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Information card for entry 2240445
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| Coordinates | 2240445.cif |
|---|---|
| Structure factors | 2240445.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl (2<i>S</i>,2'<i>R</i>)-1'-benzyl-3-oxo-3<i>H</i>-dispiro[1-benzothiophene-2,3'-pyrrolidine-2',11''-indeno[1,2-<i>b</i>]quinoxaline]-4'-carboxylate |
|---|---|
| Formula | C35 H27 N3 O3 S |
| Calculated formula | C35 H27 N3 O3 S |
| Title of publication | Crystal structure of ethyl (2<i>S</i>,2'<i>R</i>)-1'-benzyl-3-oxo-3<i>H</i>-dispiro[1-benzothiophene-2,3'-pyrrolidine-2',11''-indeno[1,2-<i>b</i>]quinoxaline]-4'-carboxylate |
| Authors of publication | Govindaraj, J.; Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | o195 - o196 |
| a | 11.3893 ± 0.0005 Å |
| b | 15.1181 ± 0.0007 Å |
| c | 16.7136 ± 0.0007 Å |
| α | 90° |
| β | 100.766 ± 0.002° |
| γ | 90° |
| Cell volume | 2827.2 ± 0.2 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 | 0.0739 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240445.cif 2240445.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240445.cif 2240445.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240445.cif 2240445.hkl |
| 132175 | 2015-02-21 | cif/ hkl/ Adding structures of 2240445 via cif-deposit CGI script. |
2240445.cif 2240445.hkl |
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Users of the data should acknowledge the original authors of the
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