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Information card for entry 7152456
Preview
| Coordinates | 7152456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H30 Cl3 N O4 |
|---|---|
| Calculated formula | C22 H30 Cl3 N O4 |
| SMILES | ClC(Cl)(Cl)C(OC(=O)N([C@H](c1ccccc1)C)[C@@H](C(=O)OCCCC)CC=C)(C)C.ClC(Cl)(Cl)C(OC(=O)N([C@@H](c1ccccc1)C)[C@H](C(=O)OCCCC)CC=C)(C)C |
| Title of publication | Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids. |
| Authors of publication | Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2012 |
| Journal volume | 10 |
| Journal issue | 30 |
| Pages of publication | 6130 - 6158 |
| a | 11.185 ± 0.005 Å |
| b | 11.218 ± 0.01 Å |
| c | 10.307 ± 0.005 Å |
| α | 104.76 ± 0.05° |
| β | 91.6 ± 0.04° |
| γ | 100.21 ± 0.05° |
| Cell volume | 1227.1 ± 1.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.101 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for significantly intense reflections | 0.204 |
| Weighted residual factors for all reflections included in the refinement | 0.2327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| 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. |
7152456.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7152456.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152456.cif |
| 64387 | 2012-08-12 | cif/ Adding structures of 7152456, 7152457 via cif-deposit CGI script. |
7152456.cif |
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Users of the data should acknowledge the original authors of the
structural data.