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Information card for entry 2008376
Preview
| Coordinates | 2008376.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (5R)-3-benzylimino-2-isopropylidene-4-thia-1-azabicyclo[3.2.0]heptan-7-one |
|---|---|
| Formula | C15 H16 N2 O S |
| Calculated formula | C15 H16 N2 O S |
| SMILES | CC(=C1/C(=N/Cc2ccccc2)/S[C@H]2N1C(=O)C2)C |
| Title of publication | Two novel optically active penam derivatives |
| Authors of publication | Danilovski, Aleksandar; Vinković, Mladen; Herak, Jure J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 4 |
| Pages of publication | 656 - 659 |
| a | 5.295 ± 0.006 Å |
| b | 11.559 ± 0.008 Å |
| c | 11.698 ± 0.011 Å |
| α | 90° |
| β | 90.64 ± 0.08° |
| γ | 90° |
| Cell volume | 715.9 ± 1.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.128 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections | 0.143 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Goodness-of-fit parameter for all reflections | 0.992 |
| Goodness-of-fit parameter for significantly intense reflections | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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