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Information card for entry 1506677
Preview
| Coordinates | 1506677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | cyclohexil |
|---|---|
| Chemical name | cyclohexil |
| Formula | C14 H23 N O4 |
| Calculated formula | C14 H23 N O4 |
| SMILES | O(C1CCCCC1)[C@@H]1[C@](NC(=O)C)(C(=O)OC)CC1.O(C1CCCCC1)[C@H]1[C@@](NC(=O)C)(C(=O)OC)CC1 |
| Title of publication | Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids. |
| Authors of publication | Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 16 |
| Pages of publication | 3597 - 3600 |
| a | 9.4901 ± 0.001 Å |
| b | 17.1409 ± 0.0003 Å |
| c | 9.9187 ± 0.0002 Å |
| α | 90° |
| β | 115.528 ± 0.001° |
| γ | 90° |
| Cell volume | 1455.95 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506677.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1506677.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506677.cif |
| 50495 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506677 via cif-deposit CGI script. |
1506677.cif |
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