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Information card for entry 1505521
Preview
| Coordinates | 1505521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C24 H23 N O2 |
|---|---|
| Calculated formula | C24 H23 N O2 |
| SMILES | O[C@@H](/C(=C/C=C)c1ccccc1)C(=O)N[C@H](C)c1cc2ccccc2cc1 |
| Title of publication | Enantioselective reductive coupling of 1,3-enynes to glyoxalates mediated by hydrogen: asymmetric synthesis of beta,gamma-unsaturated alpha-hydroxy esters. |
| Authors of publication | Hong, Young-Taek; Cho, Chang-Woo; Skucas, Eduardas; Krische, Michael J. |
| Journal of publication | Organic letters |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 19 |
| Pages of publication | 3745 - 3748 |
| a | 5.849 ± 0.0001 Å |
| b | 16.363 ± 0.0004 Å |
| c | 20.729 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1983.91 ± 0.08 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1029 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
1505521.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. |
1505521.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505521.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505521.cif |
| 45695 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505521 via cif-deposit CGI script. |
1505521.cif |
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Users of the data should acknowledge the original authors of the
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