Information card for entry 4035104

Structure parameters

• Formula: C10 H13 F N2 O6
• Calculated formula: C10 H13 F N2 O6
• SMILES: F[C@@]1(O[C@@H](N2C=CC(=O)NC2=O)[C@H](OC)[C@@H]1O)CO
• Title of publication: Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.
• Authors of publication: Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 17
• Pages of publication: 9839 - 9849
• a: 5.9682 ± 0.0002 Å
• b: 7.005 ± 0.0002 Å
• c: 13.9039 ± 0.0005 Å
• α: 95.289 ± 0.001°
• β: 93.695 ± 0.001°
• γ: 91.165 ± 0.001°
• Cell volume: 577.4 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No