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Information card for entry 7247100
Preview
| Coordinates | 7247100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 N O5 S |
|---|---|
| Calculated formula | C14 H11 N O5 S |
| Title of publication | Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds |
| Authors of publication | Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M. |
| Journal of publication | RSC Medicinal Chemistry |
| Year of publication | 2023 |
| a | 23.24 ± 0.004 Å |
| b | 13.0799 ± 0.0009 Å |
| c | 13.2996 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4042.8 ± 0.8 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1561 |
| Residual factor for significantly intense reflections | 0.1158 |
| Weighted residual factors for significantly intense reflections | 0.3094 |
| Weighted residual factors for all reflections included in the refinement | 0.3585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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 |
|---|---|---|---|
| 285343 (current) | 2023-07-26 | cif/ Adding structures of 7247098, 7247099, 7247100 via cif-deposit CGI script. |
7247100.cif |
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Users of the data should acknowledge the original authors of the
structural data.