Information card for entry 7152769

Structure parameters

• Formula: C9 H11 F N2 O5
• Calculated formula: C9 H11 F N2 O5
• SMILES: N1(C(=O)NC(=O)C=C1)[C@H]1[C@H](O)[C@H](F)[C@H](O1)CO
• Title of publication: Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides.
• Authors of publication: Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 746 - 757
• a: 15.4056 ± 0.0004 Å
• b: 6.8529 ± 0.0002 Å
• c: 15.8005 ± 0.0004 Å
• α: 90°
• β: 116.019 ± 0.001°
• γ: 90°
• Cell volume: 1499.04 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No