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Information card for entry 1569476
Preview
| Coordinates | 1569476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H9 N3 O2 |
|---|---|
| Calculated formula | C15 H9 N3 O2 |
| Title of publication | Experimental and Computational Investigation of the Oxime Bond Stereochemistry in c-Jun N-terminal Kinase 3 Inhibitors 11H-Indeno[1,2-b]quinoxalin-11-one Oxime and Tryptanthrin-6-oxime |
| Authors of publication | Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Kovrizhina, Anastasia R.; Sukhikh, Taisiya S.; Sadykov, Evgeniy H.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khlebnikov, Andrei I.; Potapov, Andrei S. |
| Journal of publication | Pharmaceutics |
| Year of publication | 2023 |
| Journal volume | 15 |
| Journal issue | 7 |
| Pages of publication | 1802 |
| a | 13.614 ± 0.003 Å |
| b | 4.898 ± 0.001 Å |
| c | 17.322 ± 0.004 Å |
| α | 90° |
| β | 90.12 ± 0.03° |
| γ | 90° |
| Cell volume | 1155.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0992 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1551 |
| Weighted residual factors for all reflections included in the refinement | 0.1708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.7527 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285040 (current) | 2023-07-06 | cif/ Adding structures of 1569476 via cif-deposit CGI script. |
1569476.cif |
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