Information card for entry 3000329

Structure parameters

• 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 ų
• 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