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Information card for entry 2237476
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| Coordinates | 2237476.cif |
|---|---|
| Structure factors | 2237476.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2,6-bis(4-chlorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate |
|---|---|
| Formula | C34 H32 Cl2 N2 O2 |
| Calculated formula | C34 H32 Cl2 N2 O2 |
| SMILES | Clc1ccc([C@H]2N([C@@H](CC(=C2C(=O)OCC)Nc2ccc(cc2)C)c2ccc(Cl)cc2)c2ccc(cc2)C)cc1.Clc1ccc([C@@H]2N([C@H](CC(=C2C(=O)OCC)Nc2ccc(cc2)C)c2ccc(Cl)cc2)c2ccc(cc2)C)cc1 |
| Title of publication | Ethyl 2,6-bis(4-chlorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate |
| Authors of publication | Anthal, Sumati; Brahmachari, Goutam; Das, Suvankar; Kant, Rajni; Gupta, Vivek K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o454 - o455 |
| a | 10.0851 ± 0.0006 Å |
| b | 12.434 ± 0.0008 Å |
| c | 14.2414 ± 0.001 Å |
| α | 113.405 ± 0.006° |
| β | 102.233 ± 0.005° |
| γ | 101.194 ± 0.005° |
| Cell volume | 1522.6 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1481 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.1093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.893 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181296 (current) | 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 2/23/74. |
2237476.cif 2237476.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. |
2237476.cif 2237476.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. |
2237476.cif 2237476.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237476.cif 2237476.hkl |
| 78764 | 2013-04-02 | cif/ Adding structures of 2237476 via cif-deposit CGI script. |
2237476.cif |
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Users of the data should acknowledge the original authors of the
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