Information card for entry 4022843

Structure parameters

• Formula: C10 H11 F2 N3 O4
• Calculated formula: C10 H11 F2 N3 O4
• SMILES: c1(=O)n(ccc(n1)N)[C@H]1[C@@H]([C@@H]2[C@@](CO)(C2(F)F)O1)O
• Title of publication: Synthesis of 3'-Deoxynucleosides with 2-Oxabicyclo[3.1.0]hexane Sugar Moieties: Addition of Difluorocarbene to a 3',4'-Unsaturated Uridine Derivative and 1,2-Dihydrofurans Derived from D- and L-Xylose
• Authors of publication: Ireneusz Nowak; Morris J. Robins
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3319 - 3325
• a: 6.2374 ± 0.0004 Å
• b: 9.8577 ± 0.001 Å
• c: 18.1082 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1113.41 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No