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Information card for entry 1100227
Preview
| Coordinates | 1100227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (1RS,5SR,7SR)-3-Aza-2-oxo-1,5,7-trimethylbicyclo[3.3.1]-7-nonanoic acid 3-form ylphenyl ester |
|---|---|
| Formula | C19 H23 N O4 |
| Calculated formula | C19 H23 N O4 |
| SMILES | [C@]12(C(=O)NC[C@@](C[C@@](C1)(C)C(=O)Oc1cccc(c1)C=O)(C2)C)C.[C@@]12(C(=O)NC[C@](C[C@](C1)(C)C(=O)Oc1cccc(c1)C=O)(C2)C)C |
| Title of publication | The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes |
| Authors of publication | Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus |
| Journal of publication | Chemistry - A European Journal |
| Year of publication | 2001 |
| Journal volume | 7 |
| Journal issue | 20 |
| Pages of publication | 4512 - 4521 |
| a | 11.818 ± 0.0015 Å |
| b | 9.9465 ± 0.001 Å |
| c | 16.082 ± 0.0019 Å |
| α | 90° |
| β | 110.375 ± 0.009° |
| γ | 90° |
| Cell volume | 1772.13 Å3 |
| Ambient diffraction temperature | 203 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 5.76 |
| Weighted residual factors for significantly intense reflections | 5.76 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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