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Information card for entry 4126779
Preview
| Coordinates | 4126779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H28 N2 O6 |
|---|---|
| Calculated formula | C17 H28 N2 O6 |
| SMILES | O(C(C)(C)C)C(=O)N(NC(=O)OC(C)(C)C)C12CC(C1)(C(=O)OC)C2 |
| Title of publication | Radical Multicomponent Carboamination of [1.1.1]Propellane. |
| Authors of publication | Kanazawa, Junichiro; Maeda, Katsuya; Uchiyama, Masanobu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 9.965 Å |
| b | 10.523 Å |
| c | 19.478 Å |
| α | 90° |
| β | 104.19° |
| γ | 90° |
| Cell volume | 1980.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 all reflections | 0.0698 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.1758 |
| Weighted residual factors for all reflections included in the refinement | 0.1812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.72932 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203793 (current) | 2017-11-30 | cif/ Adding structures of 4126779 via cif-deposit CGI script. |
4126779.cif |
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Users of the data should acknowledge the original authors of the
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