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Information card for entry 7132173
Preview
| Coordinates | 7132173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H14 O3 |
|---|---|
| Calculated formula | C17 H14 O3 |
| Title of publication | αβ,α′β′-Diepoxyketones are Mechanism-Based Inhibitors of Nucleophilic Cysteine Enzymes |
| Authors of publication | de Munnik, Mariska; Lithgow, Jasper; Brewitz, Lennart; Christensen, Kirsten; Bates, Robert H.; Rodríguez Miquel, Beatriz; Schofield, Christopher J. |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 28.7921 ± 0.0003 Å |
| b | 5.3427 ± 0.0001 Å |
| c | 8.5903 ± 0.0001 Å |
| α | 90° |
| β | 92.7637 ± 0.0011° |
| γ | 90° |
| Cell volume | 1319.89 ± 0.03 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for all reflections | 0.0786 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.0786 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9994 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286627 (current) | 2023-10-03 | cif/ Adding structures of 7132173 via cif-deposit CGI script. |
7132173.cif |
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Users of the data should acknowledge the original authors of the
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