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Information card for entry 1554794
Preview
| Coordinates | 1554794.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H24 N2 O |
|---|---|
| Calculated formula | C19 H24 N2 O |
| SMILES | O1CC(N=C1C12CC3CC(C1)CC(C2)C3)(c1ncccc1)C |
| Title of publication | Synthesis of oxazolines from amides via palladium-catalyzed functionalization of unactivated C(sp(3))-H bond. |
| Authors of publication | Li, Bo; Wang, Si-Qing; Liu, Bin; Shi, Bing-Feng |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 5 |
| Pages of publication | 1200 - 1203 |
| a | 12.8993 ± 0.0014 Å |
| b | 10.853 ± 0.0011 Å |
| c | 11.6466 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1630.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238122 (current) | 2019-11-24 | cif/ Adding structures of 1554794 via cif-deposit CGI script. |
1554794.cif |
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