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Information card for entry 7134236
Preview
| Coordinates | 7134236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 N O5 S |
|---|---|
| Calculated formula | C23 H23 N O5 S |
| Title of publication | Phenotype-directed discovery of diverse, biologically-relevant molecular scaffolds. |
| Authors of publication | Griggs, Samuel D.; Piticari, Amalia-Sofia; Liver, Samuel; Arter, Chris; Sievers, Sonja; Marsden, Stephen P.; Nelson, Adam |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| Journal volume | 61 |
| Journal issue | 17 |
| Pages of publication | 3528 - 3531 |
| a | 9.502 ± 0.0007 Å |
| b | 10.1598 ± 0.0008 Å |
| c | 12.2054 ± 0.0009 Å |
| α | 66.075 ± 0.007° |
| β | 69.398 ± 0.007° |
| γ | 75.945 ± 0.007° |
| Cell volume | 1001.24 ± 0.15 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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 |
|---|---|---|---|
| 298014 (current) | 2025-03-04 | cif/ Updating files of 7134234, 7134235, 7134236 Original log message: Adding full bibliography for 7134234--7134236.cif. |
7134236.cif |
| 297601 | 2025-02-06 | cif/ Adding structures of 7134234, 7134235, 7134236 via cif-deposit CGI script. |
7134236.cif |
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Users of the data should acknowledge the original authors of the
structural data.