Information card for entry 7158992

Structure parameters

• Formula: C17 H17 F N2 O8
• Calculated formula: C17 H17 F N2 O8
• Title of publication: Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues
• Authors of publication: Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 6.3601 ± 0.0004 Å
• b: 9.4921 ± 0.0006 Å
• c: 29.8749 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1803.57 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No