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Information card for entry 1564488
Preview
| Coordinates | 1564488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 N2 O4 S |
|---|---|
| Calculated formula | C16 H18 N2 O4 S |
| Title of publication | Study of penicillin degradation mechanism upon interaction with silver(I) ions |
| Authors of publication | Banti, C.N.; Ketikidis, I.; Hadjikakou, S.K.; Hatzidimitriou, A.G.; Grześkiewicz, A.M.; Kubicki, M.; Hadjiliadis, N. |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 509 |
| Pages of publication | 119683 |
| a | 5.8137 ± 0.0017 Å |
| b | 15.8848 ± 0.0019 Å |
| c | 17.238 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1591.9 ± 0.6 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0955 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections | 0.12 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268328 (current) | 2021-08-31 | cif/ Adding structures of 1564487, 1564488 via cif-deposit CGI script. |
1564488.cif |
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Users of the data should acknowledge the original authors of the
structural data.