Information card for entry 4022086

Structure parameters

• Formula: C20 H18 F2 N2 O6
• Calculated formula: C20 H18 F2 N2 O6
• SMILES: C1(=O)N(C=CC(=O)N1C(=O)c1ccccc1)[C@@H]1[C@@H]2[C@H]([C@]3(C(C3)(F)F)O1)OC(C)(C)O2
• 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: 12.0009 ± 0.0018 Å
• b: 7.0164 ± 0.001 Å
• c: 12.796 ± 0.002 Å
• α: 90°
• β: 114.245 ± 0.012°
• γ: 90°
• Cell volume: 982.4 ± 0.3 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: 0.0406
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No