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Information card for entry 7153258
Preview
| Coordinates | 7153258.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H14 N2 O2 |
|---|---|
| Calculated formula | C8 H14 N2 O2 |
| SMILES | O=N1C(N(C(=O)C=1)C)(C(C)C)C |
| Title of publication | MiPNO, a new chiral cyclic nitrone for enantioselective amino acid synthesis: the cycloaddition approach. |
| Authors of publication | Thiverny, Maryse; Philouze, Christian; Chavant, Pierre Yves; Blandin, Véronique |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2010 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 864 - 872 |
| a | 6.9 ± 0.002 Å |
| b | 7.365 ± 0.002 Å |
| c | 8.819 ± 0.002 Å |
| α | 83.78 ± 0.02° |
| β | 86.06 ± 0.02° |
| γ | 84.78 ± 0.02° |
| Cell volume | 442.9 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for all reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections | 1.935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.935 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7153258.cif |
| 92564 | 2014-01-12 | cif/ Adding structures of 7153258, 7153259 via cif-deposit CGI script. |
7153258.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.