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Information card for entry 7152768
Preview
| Coordinates | 7152768.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H30 N2 |
|---|---|
| Calculated formula | C26 H30 N2 |
| SMILES | N1[C@H](c2ccc(cc2)C)C[C@@H](Nc2cc(cc(c2)C)C)c2c(cc(cc12)C)C |
| Title of publication | Diastereoselective, multicomponent access to trans-2-aryl-4-arylamino-1,2,3,4-tetrahydroquinolines via an AA'BC sequential four-component reaction and their application to 2-arylquinoline synthesis. |
| Authors of publication | Ribelles, Pascual; Sridharan, Vellaisamy; Villacampa, Mercedes; Ramos, Ma Teresa; Menéndez, J Carlos |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2013 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 569 - 579 |
| a | 10.4429 ± 0.0003 Å |
| b | 7.4627 ± 0.0002 Å |
| c | 14.1231 ± 0.0004 Å |
| α | 90° |
| β | 93.253 ± 0.002° |
| γ | 90° |
| Cell volume | 1098.87 ± 0.05 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0837 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7152768.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7152768.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152768.cif |
| 73761 | 2013-02-21 | cif/ Adding structures of 7152768 via cif-deposit CGI script. |
7152768.cif |
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Users of the data should acknowledge the original authors of the
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