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Information card for entry 1506679
Preview
| Coordinates | 1506679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | compound10 |
|---|---|
| Chemical name | compound10 |
| Formula | C20 H27 N O4 |
| Calculated formula | C20 H27 N O4 |
| SMILES | O([C@H]1[C@@](NC(=O)C)(C(=O)OC)CC1)[C@H]1[C@H](c2ccccc2)CCCC1 |
| 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 | 16.4388 ± 0.0001 Å |
| b | 20.273 ± 0.0016 Å |
| c | 5.7205 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1906.44 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0895 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1371 |
| Weighted residual factors for all reflections included in the refinement | 0.1543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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. |
1506679.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506679.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. |
1506679.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506679.cif |
| 50497 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506679 via cif-deposit CGI script. |
1506679.cif |
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Users of the data should acknowledge the original authors of the
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