Information card for entry 2010635

Structure parameters

• Chemical name: 1'-deoxy-1'-(2,4-difluorophenyl)-β-D-ribofuranose
• Formula: C11 H12 F2 O4
• Calculated formula: C11 H12 F2 O4
• SMILES: Fc1c(ccc(F)c1)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)CO
• Title of publication: 1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions
• Authors of publication: Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 201 - 205
• a: 14.684 ± 0.002 Å
• b: 4.6609 ± 0.0006 Å
• c: 15.772 ± 0.002 Å
• α: 90°
• β: 99.476 ± 0.011°
• γ: 90°
• Cell volume: 1064.7 ± 0.2 ų
• Cell temperature: 134 ± 2 K
• Ambient diffraction temperature: 134 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No