Information card for entry 4027233

Structure parameters

• Formula: C12 H15 F N2 O4
• Calculated formula: C12 H15 F N2 O4
• SMILES: F[C@H]1[C@H](N2C(=O)NC(=O)C(=C2)C)C=C[C@H](CO)[C@H]1O
• Title of publication: Synthesis and Antisense Properties of Fluoro Cyclohexenyl Nucleic Acid (F-CeNA), a Nuclease Stable Mimic of 2'-Fluoro RNA
• Authors of publication: Punit P. Seth; Jinghua Yu; Ali Jazayeri; Pradeep S. Pallan; Charles R Allerson; Michael E. Østergaard; Fengwu Liu; Piet Herdewijn; Martin Egli; Eric E. Swayze
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 5074 - 5085
• a: 20.0342 ± 0.0007 Å
• b: 8.4347 ± 0.0003 Å
• c: 6.9512 ± 0.0002 Å
• α: 90°
• β: 95.392 ± 0.002°
• γ: 90°
• Cell volume: 1169.43 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0254
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No