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Information card for entry 7132197
Preview
| Coordinates | 7132197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H19 N O3 |
|---|---|
| Calculated formula | C17 H19 N O3 |
| SMILES | O=C(N1CCOCC1)C12C(=O)C(C(C1)C2)c1ccccc1 |
| Title of publication | Enolate addition to bicyclobutanes enables expedient access to 2-oxo-bicyclohexane scaffolds |
| Authors of publication | Woelk, Kyla; Dhake, Kushal; Schley, Nathan D.; Leitch, David |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 5.4793 ± 0.0002 Å |
| b | 11.098 ± 0.0004 Å |
| c | 12.6043 ± 0.0004 Å |
| α | 113.894 ± 0.003° |
| β | 94.988 ± 0.003° |
| γ | 92.07 ± 0.003° |
| Cell volume | 695.97 ± 0.05 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.0373 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286878 (current) | 2023-10-11 | cif/ Adding structures of 7132197, 7132198, 7132199 via cif-deposit CGI script. |
7132197.cif |
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Users of the data should acknowledge the original authors of the
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