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Information card for entry 1566126
Preview
| Coordinates | 1566126.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 N O |
|---|---|
| Calculated formula | C19 H23 N O |
| SMILES | C1(=C[C@@H](C=C(C=C1)C)c1ccccc1)C(=O)NC(C)(C)C |
| Title of publication | Enantioselective one-carbon expansion of aromatic rings by simultaneous formation and chromoselective irradiation of a transient coloured enolate |
| Authors of publication | Saunthwal, Rakesh K.; Mortimer, James; Orr-Ewing, Andrew; Clayden, Jonathan |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 5.827 ± 0.0003 Å |
| b | 16.246 ± 0.0007 Å |
| c | 16.8144 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1591.74 ± 0.13 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0263 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272227 (current) | 2022-01-26 | cif/ Adding structures of 1566124, 1566125, 1566126 via cif-deposit CGI script. |
1566126.cif |
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Users of the data should acknowledge the original authors of the
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