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Information card for entry 7160081
Preview
| Coordinates | 7160081.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H12 N O3 Pd0.5 |
|---|---|
| Calculated formula | C11 H12 N O3 Pd0.5 |
| Title of publication | Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides. |
| Authors of publication | Jena, Chinmay K.; Sharma, Nagendra K. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 33 |
| Pages of publication | 6822 - 6832 |
| a | 13.4678 ± 0.0009 Å |
| b | 5.0155 ± 0.0003 Å |
| c | 17.0923 ± 0.001 Å |
| α | 90° |
| β | 111.3 ± 0.007° |
| γ | 90° |
| Cell volume | 1075.68 ± 0.13 Å3 |
| Cell temperature | 270 ± 3 K |
| Ambient diffraction temperature | 270 ± 3 K |
| Number of distinct elements | 5 |
| 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 | 0.0915 |
| Residual factor for significantly intense reflections | 0.0756 |
| Weighted residual factors for significantly intense reflections | 0.2096 |
| Weighted residual factors for all reflections included in the refinement | 0.2286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| 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 |
|---|---|---|---|
| 294624 (current) | 2024-09-06 | cif/ Updating files of 7160076, 7160077, 7160078, 7160079, 7160080, 7160081 Original log message: Adding full bibliography for 7160076--7160081.cif. |
7160081.cif |
| 293590 | 2024-07-30 | cif/ Adding structures of 7160076, 7160077, 7160078, 7160079, 7160080, 7160081 via cif-deposit CGI script. |
7160081.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.