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Information card for entry 3000329
Preview
No preview available: structure is on hold until 2022-07-01
| Coordinates | Coordinates are not available: structure is on hold until 2022-07-01 |
|---|
| Formula | C15 H20 N4 O4 S |
|---|---|
| Authors of publication | Balandis, Benas; Simkunas, Tomas; Paketuryte-Latve, Vaida; Michailoviene, Vilma; Mickeviciute, Aurelija; Manakova, Elena; Grazulis, Saulius; Belyakov, Sergey; Mickevicius, Vytautas; Zubriene, Asta; Matulis, Daumantas |
| Journal of publication | To be published in Bioorganic Chemistry |
| a | 6.3014 ± 0.0004 Å |
| b | 33.434 ± 0.002 Å |
| c | 8.021 ± 0.0005 Å |
| α | 90° |
| β | 90.225 ± 0.005° |
| γ | 90° |
| Cell volume | 1689.86 ± 0.18 Å3 |
| Cell temperature | 170 ± 0.2 K |
| Ambient diffraction temperature | 170 ± 0.2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1519 |
| Residual factor for significantly intense reflections | 0.1465 |
| Weighted residual factors for significantly intense reflections | 0.3488 |
| Weighted residual factors for all reflections included in the refinement | 0.35 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | No |
| Has disorder | No |
| Has Fobs | No |
Version history
Not available for prepublication material.
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Users of the data should acknowledge the original authors of the
structural data.