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Information card for entry 7157734
Preview
| Coordinates | 7157734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (R)-tert-butyl 4-((R)-2-(4-chlorophenyl)-5-oxo-2,5-dihydrofuran-2-yl)-2-oxopyrrolidine-1-carboxylate |
|---|---|
| Formula | C19 H20 Cl N O5 |
| Calculated formula | C19 H20 Cl N O5 |
| Title of publication | Asymmetric vinylogous Michael addition of 5-substituted-furan-2(3<i>H</i>)-ones to an α,β-unsaturated-γ-lactam. |
| Authors of publication | Romaniszyn, Marta; Sieroń, Lesław; Albrecht, Łukasz |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 42 |
| Pages of publication | 8633 - 8637 |
| a | 9.6261 ± 0.00009 Å |
| b | 6.61723 ± 0.00011 Å |
| c | 14.2237 ± 0.0002 Å |
| α | 90° |
| β | 98.0027 ± 0.0011° |
| γ | 90° |
| Cell volume | 897.2 ± 0.02 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0225 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.0589 |
| Weighted residual factors for all reflections included in the refinement | 0.0589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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 |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157734.cif |
| 258955 | 2020-11-06 | cif/ Updating files of 7157734 Original log message: Adding full bibliography for 7157734.cif. |
7157734.cif |
| 258295 | 2020-10-10 | cif/ Adding structures of 7157734 via cif-deposit CGI script. |
7157734.cif |
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Users of the data should acknowledge the original authors of the
structural data.