Information card for entry 4035102

Structure parameters

• Formula: C10 H15 F N2 O7
• Calculated formula: C10 H15 F N2 O7
• SMILES: F[C@H]1[C@@H](O[C@@](OC)([C@H]1O)CO)N1C=CC(=O)NC1=O.O
• 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: 30.0065 ± 0.0015 Å
• b: 6.5012 ± 0.0003 Å
• c: 13.4207 ± 0.0007 Å
• α: 90°
• β: 108.954 ± 0.001°
• γ: 90°
• Cell volume: 2476.1 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No