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Information card for entry 7128590
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| Coordinates | 7128590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (S,E)-methyl 5-(5-((E)-(2,2-dimethylhydrazono)methyl)-1-methyl-1H-pyrrol-2-yl)-5-phenylpent-2-enoate |
|---|---|
| Formula | C20 H25 N3 O2 |
| Calculated formula | C20 H25 N3 O2 |
| Title of publication | Vinylogous hydrazone strategy for the organocatalytic alkylation of heteroaromatic derivatives. |
| Authors of publication | Łukasik, Beata; Kowalska, Justyna; Frankowski, Sebastian; Albrecht, Łukasz |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 51 |
| Pages of publication | 6312 - 6315 |
| a | 6.4512 ± 0.0001 Å |
| b | 8.5325 ± 0.0002 Å |
| c | 8.7429 ± 0.0002 Å |
| α | 91.537 ± 0.002° |
| β | 93.551 ± 0.002° |
| γ | 91.604 ± 0.002° |
| Cell volume | 479.943 ± 0.017 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0924 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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 |
|---|---|---|---|
| 266977 (current) | 2021-07-04 | cif/ Adding structures of 7128590 via cif-deposit CGI script. |
7128590.cif |
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