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Information card for entry 2242808
Preview
| Coordinates | 2242808.cif |
|---|---|
| Structure factors | 2242808.hkl |
| Original IUCr paper | HTML |
| Chemical name | 7'-(4-Chlorophenyl)-2''-(4-methoxyphenyl)-7',7a',7'',8''-tetrahydro-1'<i>H</i>,3'<i>H</i>,5''<i>H</i>-dispiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>]thiazole-6',6''-quinoline]-2,5''-dione |
|---|---|
| Formula | C34 H28 Cl N3 O3 S |
| Calculated formula | C34 H28 Cl N3 O3 S |
| SMILES | [C@@H]1([C@@]2([C@]3(c4ccccc4NC3=O)N3[C@@H]1CSC3)C(=O)c1ccc(c3ccc(cc3)OC)nc1CC2)c1ccc(cc1)Cl.[C@H]1([C@]2([C@@]3(c4ccccc4NC3=O)N3[C@H]1CSC3)C(=O)c1ccc(c3ccc(cc3)OC)nc1CC2)c1ccc(cc1)Cl |
| Title of publication | Crystal structure of 7'-(4-chlorophenyl)-2''-(4-methoxyphenyl)-7',7a',7'',8''-tetrahydro-1'<i>H</i>,3'<i>H</i>,5''<i>H</i>-dispiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>]thiazole-6',6''-quinoline]-2,5''-dione and an unknown solvent |
| Authors of publication | Vishnupriya, R.; Venkateshan, M.; Suresh, J.; Sumesh, R. V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| Pages of publication | 189 - 193 |
| a | 11.8222 ± 0.0007 Å |
| b | 14.7535 ± 0.0009 Å |
| c | 19.5055 ± 0.0012 Å |
| α | 68.396 ± 0.003° |
| β | 78.555 ± 0.003° |
| γ | 87.302 ± 0.003° |
| Cell volume | 3099 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1128 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1405 |
| Weighted residual factors for all reflections included in the refinement | 0.1711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213106 (current) | 2019-01-16 | cif/ hkl/ Adding structures of 2242808 via cif-deposit CGI script. |
2242808.cif 2242808.hkl |
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