Information card for entry 4022088

Structure parameters

• Formula: C10 H11 F2 N3 O3
• Calculated formula: C10 H11 F2 N3 O3
• SMILES: c1(=O)n(ccc(n1)N)[C@H]1C[C@@H]([C@@]2(C(C2)(F)F)O1)O
• Title of publication: Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides
• Authors of publication: Ireneusz Nowak; Morris J. Robins
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 8876 - 8883
• a: 5.3533 ± 0.0005 Å
• b: 17.484 ± 0.002 Å
• c: 12.0785 ± 0.0012 Å
• α: 90°
• β: 100.109 ± 0.008°
• γ: 90°
• Cell volume: 1113 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1376
• 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