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Information card for entry 7250160
Preview
| Coordinates | 7250160.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N3 O4 |
|---|---|
| Calculated formula | C19 H21 N3 O4 |
| Title of publication | Electrochemical Oxidation-Cyclocondensation of Chitin-Derived 3-Acetamido-5-acetylfuran (3A5AF) for the Synthesis of 3-Acetyl-4-acetamidopyrrolin-2-ones |
| Authors of publication | Arteaga Giraldo, Juan Jose Jose; Söhnel, Tilo; Kilmartin, Paul; Sperry, Jonathan |
| Journal of publication | Green Chemistry |
| Year of publication | 2025 |
| a | 9.5658 ± 0.0008 Å |
| b | 8.2756 ± 0.0005 Å |
| c | 22.671 ± 0.002 Å |
| α | 90° |
| β | 99.436 ± 0.009° |
| γ | 90° |
| Cell volume | 1770.4 ± 0.2 Å3 |
| Cell temperature | 120 ± 0.4 K |
| Ambient diffraction temperature | 120 ± 0.4 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1029 |
| Residual factor for significantly intense reflections | 0.0823 |
| Weighted residual factors for significantly intense reflections | 0.1888 |
| Weighted residual factors for all reflections included in the refinement | 0.198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2 |
| 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 |
|---|---|---|---|
| 298549 (current) | 2025-03-21 | cif/ Adding structures of 7250160 via cif-deposit CGI script. |
7250160.cif |
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Users of the data should acknowledge the original authors of the
structural data.