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Information card for entry 4038594
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Coordinates | 4038594.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H18 N2 O3 S |
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Calculated formula | C14 H18 N2 O3 S |
Title of publication | Synthesis of 2-Thio-Substituted 1,6-Diazabicyclo[3.2.1]octane Derivatives, Potent β-Lactamase Inhibitors. |
Authors of publication | Fujiu, Motohiro; Yokoo, Katsuki; Aoki, Toshiaki; Shibuya, Satoru; Sato, Jun; Komano, Kazuo; Kusano, Hiroki; Sato, Soichiro; Ogawa, Masayoshi; Yamawaki, Kenji |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 20.2904 ± 0.001 Å |
b | 6.2175 ± 0.0003 Å |
c | 11.6198 ± 0.0005 Å |
α | 90° |
β | 101.089 ± 0.004° |
γ | 90° |
Cell volume | 1438.53 ± 0.12 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0443 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.107 |
Weighted residual factors for all reflections included in the refinement | 0.1071 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4038594.html
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Users of the data should acknowledge the original authors of the
structural data.