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Information card for entry 7160392
Preview
| Coordinates | 7160392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 N2 O5 |
|---|---|
| Calculated formula | C16 H18 N2 O5 |
| 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 | 5.6238 ± 0.0003 Å |
| b | 14.8768 ± 0.0008 Å |
| c | 19.4102 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1623.94 ± 0.15 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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. |
7160392.cif |
| 297861 | 2025-02-26 | cif/ Adding structures of 7160390, 7160391, 7160392, 7160393, 7160394 via cif-deposit CGI script. |
7160392.cif |
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Users of the data should acknowledge the original authors of the
structural data.