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Information card for entry 7160390
Preview
| Coordinates | 7160390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H40 N4 O12 S2 |
|---|---|
| Calculated formula | C38 H40 N4 O12 S2 |
| Title of publication | PIDA-mediated synthesis of kynurenine derivatives by oxidative fragmentation of the tryptophan scaffold. |
| Authors of publication | Jena, Chinmay K.; Patnaik, Aurobindo; Nayak, Sushree S.; Kumari, Supriya; Panda, Ankita; Dixit, Manjusha; Sharma, Nagendra K. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 13 |
| Pages of publication | 3208 - 3223 |
| a | 11.0125 ± 0.0002 Å |
| b | 8.5411 ± 0.0001 Å |
| c | 21.002 ± 0.0003 Å |
| α | 90° |
| β | 104.994 ± 0.002° |
| γ | 90° |
| Cell volume | 1908.17 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0369 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| 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 |
|---|---|---|---|
| 299108 (current) | 2025-04-05 | cif/ Updating files of 7160390, 7160391, 7160392, 7160393, 7160394 Original log message: Adding full bibliography for 7160390--7160394.cif. |
7160390.cif |
| 297861 | 2025-02-26 | cif/ Adding structures of 7160390, 7160391, 7160392, 7160393, 7160394 via cif-deposit CGI script. |
7160390.cif |
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Users of the data should acknowledge the original authors of the
structural data.