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Information card for entry 2008375
Preview
| Coordinates | 2008375.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (2S,4S,5R,6S)-2-benzylcarbamoyl-6-bromo-3,3-dimethyl-4-thia-1- -azabicyclo[3.2.0]heptan-7-one 4-oxide hydrate |
|---|---|
| Formula | C15 H19 Br N2 O4 S |
| Calculated formula | C15 H19 Br N2 O4 S |
| 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 | 9.798 ± 0.003 Å |
| b | 18.752 ± 0.004 Å |
| c | 19.246 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3536.1 ± 1.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| 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 | 0.28 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections | 0.178 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Goodness-of-fit parameter for all reflections | 0.969 |
| Goodness-of-fit parameter for significantly intense reflections | 1.239 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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