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Information card for entry 1514212
Preview
| Coordinates | 1514212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H25 N O6 |
|---|---|
| Calculated formula | C18 H25 N O6 |
| SMILES | O=N(=C(C(=O)OC)CC(=O)OC)[C@@H](C(C)C)COCc1ccccc1 |
| Title of publication | Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers. |
| Authors of publication | Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 7 |
| Pages of publication | 1936 - 1939 |
| a | 6.5131 ± 0.0013 Å |
| b | 7.9315 ± 0.0016 Å |
| c | 9.954 ± 0.002 Å |
| α | 90.89 ± 0.03° |
| β | 94.28 ± 0.03° |
| γ | 112.44 ± 0.03° |
| Cell volume | 473.4 ± 0.2 Å3 |
| Cell temperature | 297 K |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0679 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1394 |
| Weighted residual factors for all reflections included in the refinement | 0.1529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1514212.cif |
| 110599 | 2014-04-19 | cif/ Updating files of 1514212 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-8800/cifs/1514212.cif. |
1514212.cif |
| 108715 | 2014-04-02 | cif/ Adding structures of 1514211, 1514212, 1514213, 1514214 via cif-deposit CGI script. |
1514212.cif |
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Users of the data should acknowledge the original authors of the
structural data.