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Information card for entry 1553452
Preview
| Coordinates | 1553452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 N O5 |
|---|---|
| Calculated formula | C19 H17 N O5 |
| Title of publication | Catalytic one-pot synthesis of 4-(hetero)aryl substituted 5-(2-oxoethyl) oxazol-2(3H)-ones by coupling‒isomerization‒elimination (CIE) sequence |
| Authors of publication | Görgen née Boersch, Christina; Lutsenko, Kiril; Merkul, Eugen; Frank, Walter; Müller, Thomas J. J. |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 7 |
| Pages of publication | 887 |
| a | 13.5013 ± 0.001 Å |
| b | 18.6052 ± 0.0013 Å |
| c | 13.6121 ± 0.0009 Å |
| α | 90° |
| β | 106.649 ± 0.008° |
| γ | 90° |
| Cell volume | 3275.9 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 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 | 0.0705 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0553 |
| Weighted residual factors for all reflections included in the refinement | 0.0581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235014 (current) | 2019-11-23 | cif/ Adding structures of 1553452 via cif-deposit CGI script. |
1553452.cif |
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Users of the data should acknowledge the original authors of the
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