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Information card for entry 7245848
Preview
| Coordinates | 7245848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18.25 H14.5 Cl0.5 N4 |
|---|---|
| Calculated formula | C18.25 H14.5 Cl0.5 N4 |
| Title of publication | Exploring structural effects in a new class of NRF2 inhibitors |
| Authors of publication | Hou, Zhilin; Lockwood, Lizbeth; Zhang, Di; Occhiuto, Christopher J.; Mo, Linqing; Aldrich, Kelly E.; Stoub, Hayden E.; Gallo, Kathleen A.; Liby, Karen T.; Odom, Aaron L. |
| Journal of publication | RSC Medicinal Chemistry |
| Year of publication | 2022 |
| a | 9.0603 ± 0.0003 Å |
| b | 12.4451 ± 0.0003 Å |
| c | 14.3291 ± 0.0005 Å |
| α | 67.463 ± 0.002° |
| β | 77.461 ± 0.003° |
| γ | 81.987 ± 0.002° |
| Cell volume | 1453.88 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0608 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279341 (current) | 2022-11-17 | cif/ Adding structures of 7245848 via cif-deposit CGI script. |
7245848.cif |
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Users of the data should acknowledge the original authors of the
structural data.