Information card for entry 2019458

Structure parameters

• Chemical name: 1'-Deoxy-1'-(2,4,6-trifluorophenyl)-β-<i>D</i>-ribofuranose
• Formula: C11 H11 F3 O4
• Calculated formula: C11 H11 F3 O4
• SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1c(F)cc(cc1F)F
• Title of publication: Three different fluoro- or chloro-substituted 1'-deoxy-1'-phenyl-β-<small>D</small>-ribofuranoses
• Authors of publication: Bats, Jan W.; Živković, Aleksandra; Parsch, Jörg; Engels, Joachim W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: 400 - 404
• a: 11.209 ± 0.003 Å
• b: 20.221 ± 0.005 Å
• c: 4.9699 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1126.5 ± 0.5 ų
• Cell temperature: 142 ± 2 K
• Ambient diffraction temperature: 142 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes