Information card for entry 2010632

Structure parameters

• Chemical name: 1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose
• Formula: C11 H13 F O4
• Calculated formula: C11 H13 F O4
• SMILES: O[C@@H]1[C@H](O)[C@H](O[C@H]1c1ccc(F)cc1)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: 5.4741 ± 0.0009 Å
• b: 7.3018 ± 0.0007 Å
• c: 26.791 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1070.9 ± 0.2 ų
• Cell temperature: 134 ± 2 K
• Ambient diffraction temperature: 134 ± 2 K
• Number of distinct elements: 4
• 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: 0.04
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.393
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No