Information card for entry 4026210

Structure parameters

• Formula: C19 H18 F3 N3 O4
• Calculated formula: C19 H18 F3 N3 O4
• Title of publication: Synthesis of Fluorinated Purine and 1-Deazapurine Glycosides as Potential Inhibitors of Adenosine Deaminase
• Authors of publication: Viktor O. Iaroshenko; Dmytro Ostrovskyi; Andranik Petrosyan; Satenik Mkrtchyan; Alexander Villinger; Peter Langer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 2899 - 2903
• a: 6.1794 ± 0.0004 Å
• b: 10.36 ± 0.0007 Å
• c: 27.9401 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1788.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0474
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No