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Information card for entry 7150761
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| Coordinates | 7150761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-(6-methyl-2-oxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione |
|---|---|
| Chemical name | 2-(6-methyl-2-oxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione |
| Formula | C14 H14 N2 O3 |
| Calculated formula | C14 H14 N2 O3 |
| SMILES | O=C1N[C@@H](CC[C@@H]1N1C(=O)c2ccccc2C1=O)C.O=C1N[C@H](CC[C@H]1N1C(=O)c2ccccc2C1=O)C |
| Title of publication | The acyl nitroso Diels‒Alder (ANDA) reaction of sorbate derivatives: an X-ray and 15N NMR study with an application to amino-acid synthesis |
| Authors of publication | Bollans, Lee; Bacsa, John; Iggo, Jonathan A.; Morris, Gareth A.; Stachulski, Andrew V. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 21 |
| Pages of publication | 4531 - 4538 |
| a | 5.6187 ± 0.001 Å |
| b | 17.695 ± 0.003 Å |
| c | 12.511 ± 0.002 Å |
| α | 90° |
| β | 102.957 ± 0.003° |
| γ | 90° |
| Cell volume | 1212.2 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180293 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/07. |
7150761.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150761.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150761.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150761.cif |
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