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Information card for entry 7247414
Preview
| Coordinates | 7247414.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H21 F O5 |
|---|---|
| Calculated formula | C20 H21 F O5 |
| SMILES | Fc1cc([C@H]2CC(=O)c3cc(OC)c(OC)c(OC)c23)ccc1OCC |
| Title of publication | Discovery of Novel Tubulin CBSI (R)-9k from Indanone Scaffold for the Treatment of Colorectal Cancer |
| Authors of publication | Huo, Zhipeng; Min, Delin; Zhang, Shijie; Tang, Mei-Lin; Sun, Xun |
| Journal of publication | RSC Medicinal Chemistry |
| Year of publication | 2023 |
| a | 14.3474 ± 0.0005 Å |
| b | 4.428 ± 0.0001 Å |
| c | 14.8423 ± 0.0005 Å |
| α | 90° |
| β | 109.905 ± 0.001° |
| γ | 90° |
| Cell volume | 886.6 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0356 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286368 (current) | 2023-09-17 | cif/ Adding structures of 7247414 via cif-deposit CGI script. |
7247414.cif |
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Users of the data should acknowledge the original authors of the
structural data.