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Information card for entry 7160840
Preview
| Coordinates | 7160840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H12 N2 O2 |
|---|---|
| Calculated formula | C13 H12 N2 O2 |
| Title of publication | CuI/TEMPO Mediated Aerobic Oxidative sp3 C-H Functionalization Leading to Pyrrol-2-one Derivatives |
| Authors of publication | Mondal, Aritra; Mandal, Sunanda; Khamarui, Saikat; Mondal, Souvik; Maity, Bholanath; Dutta, Tanmoy; Hazra, Ayan; Das, Paramita; Ray, Suman |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 10.7159 ± 0.0002 Å |
| b | 7.1215 ± 0.0001 Å |
| c | 30.6961 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2342.52 ± 0.07 Å3 |
| Cell temperature | 299 K |
| Ambient diffraction temperature | 299 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303186 (current) | 2025-11-05 | cif/ Adding structures of 7160840 via cif-deposit CGI script. |
7160840.cif |
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Users of the data should acknowledge the original authors of the
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