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Information card for entry 4518044
Preview
| Coordinates | 4518044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H34 Cl N4 O5 P |
|---|---|
| Calculated formula | C34 H34 Cl N4 O5 P |
| Title of publication | An Enzyme Model Which Mimics Chymotrypsin and N-Terminal Hydrolases |
| Authors of publication | Garrido-González, José J.; Iglesias Aparicio, Ma Mercedes; García, Miguel Martínez; Simón, Luis; Sanz, Francisca; Morán, Joaquín R.; Fuentes de Arriba, Ángel L. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 11162 |
| a | 10.705 ± 0.0003 Å |
| b | 11.4472 ± 0.0004 Å |
| c | 13.9654 ± 0.0005 Å |
| α | 97.31 ± 0.003° |
| β | 112.09 ± 0.002° |
| γ | 95.568 ± 0.002° |
| Cell volume | 1553.18 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.055 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256456 (current) | 2020-09-17 | cif/ Adding structures of 4518044 via cif-deposit CGI script. |
4518044.cif |
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Users of the data should acknowledge the original authors of the
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