Information card for entry 2019457

Structure parameters

• Chemical name: 1'-Deoxy-1'-(2,4,5-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)c1cc(F)c(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: 13.248 ± 0.002 Å
• b: 4.9913 ± 0.001 Å
• c: 16.312 ± 0.006 Å
• α: 90°
• β: 100.18 ± 0.02°
• γ: 90°
• Cell volume: 1061.6 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes