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Information card for entry 2239472
Preview
| Coordinates | 2239472.cif |
|---|---|
| Structure factors | 2239472.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 5-Chloro-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1',1''-dimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione |
|---|---|
| Formula | C30 H26 Cl3 N3 O2 |
| Calculated formula | C30 H26 Cl3 N3 O2 |
| SMILES | Clc1ccc(cc1)[C@H]1CN([C@]2([C@]31CN(C)CC(=C\c1ccc(Cl)cc1)/C3=O)C(=O)Nc1c2cc(Cl)cc1)C.Clc1ccc(cc1)[C@@H]1CN([C@@]2([C@@]31CN(C)CC(=C\c1ccc(Cl)cc1)/C3=O)C(=O)Nc1c2cc(Cl)cc1)C |
| Title of publication | 5-Chloro-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1',1''-dimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione |
| Authors of publication | Farag, I. S. Ahmed; Girgis, Adel S.; Ramadan, A. A.; Moustafa, A. M.; Mabied, Ahmed F. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o379 - o380 |
| a | 11.2102 ± 0.0003 Å |
| b | 11.5909 ± 0.0003 Å |
| c | 12.3569 ± 0.0004 Å |
| α | 99.0734 ± 0.0008° |
| β | 90.1887 ± 0.0009° |
| γ | 116.404 ± 0.001° |
| Cell volume | 1415.22 ± 0.07 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1157 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for all reflections | 0.1346 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239472.cif 2239472.hkl |
| 181313 | 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 2/23/94. |
2239472.cif 2239472.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. |
2239472.cif 2239472.hkl |
| 110755 | 2014-04-19 | cif/ hkl/ Adding structures of 2239472 via cif-deposit CGI script. |
2239472.cif 2239472.hkl |
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Users of the data should acknowledge the original authors of the
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