Information card for entry 4036133

Structure parameters

• Formula: C20 H20 F N3 O5
• Calculated formula: C20 H20 F N3 O5
• Title of publication: Synthesis and properties of 6'-fluoro-tricyclo-DNA.
• Authors of publication: Medvecky, Michal; Istrate, Alena; Leumann, Christian J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 7
• Pages of publication: 3556 - 3565
• a: 13.0908 ± 0.0002 Å
• b: 6.7839 ± 0.0001 Å
• c: 20.8733 ± 0.0004 Å
• α: 90°
• β: 95.182 ± 0.002°
• γ: 90°
• Cell volume: 1846.11 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No