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Information card for entry 2237801
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| Coordinates | 2237801.cif |
|---|---|
| Structure factors | 2237801.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Ethyl 4-anilino-2,6-bis(4-chlorophenyl)-1-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
|---|---|
| Formula | C32 H28 Cl2 N2 O2 |
| Calculated formula | C32 H28 Cl2 N2 O2 |
| SMILES | Clc1ccc([C@H]2N([C@@H](C(=C(Nc3ccccc3)C2)C(=O)OCC)c2ccc(Cl)cc2)c2ccccc2)cc1.Clc1ccc([C@@H]2N([C@H](C(=C(Nc3ccccc3)C2)C(=O)OCC)c2ccc(Cl)cc2)c2ccccc2)cc1 |
| Title of publication | Ethyl 4-anilino-2,6-bis(4-chlorophenyl)-1-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
| Authors of publication | Yu, Jianfeng; Tang, Shiming; Zeng, Jingbin; Yan, Zifeng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | o947 - o948 |
| a | 9.559 ± 0.004 Å |
| b | 9.656 ± 0.003 Å |
| c | 16.392 ± 0.006 Å |
| α | 78.584 ± 0.006° |
| β | 82.056 ± 0.006° |
| γ | 68.39 ± 0.006° |
| Cell volume | 1375.3 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1113 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.2004 |
| Weighted residual factors for all reflections included in the refinement | 0.3104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2237801.cif 2237801.hkl |
| 181300 | 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 2/23/78. |
2237801.cif 2237801.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. |
2237801.cif 2237801.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. |
2237801.cif 2237801.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237801.cif 2237801.hkl |
| 86465 | 2013-07-11 | cif/ Adding structures of 2237801 via cif-deposit CGI script. |
2237801.cif |
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Users of the data should acknowledge the original authors of the
structural data.