Information card for entry 2004340

Structure parameters

• Chemical name: 2-methylthio-5-nitroso-6-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino- pyrimidin-4-(3H)-one
• Formula: C16 H20 N4 O9 S
• Calculated formula: C16 H20 N4 O9 S
• Title of publication: 2-Methylthio-5-nitroso-6-<i>N</i>-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)amino-4(3<i>H</i>)-pyrimidinone
• Authors of publication: Cobo, J.; Melguizo, M.; Sánchez, A.; Nogueras, M.; Low, J. N.; Ferguson, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 148 - 150
• a: 6.9874 ± 0.0004 Å
• b: 10.647 ± 0.002 Å
• c: 27.0341 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2011.2 ± 0.4 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• 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: 0.1538
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections: 0.1967
• Weighted residual factors for significantly intense reflections: 0.1578
• Goodness-of-fit parameter for all reflections: 0.913
• Goodness-of-fit parameter for significantly intense reflections: 1.198
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No