Information card for entry 2019459

Structure parameters

• Chemical name: 1'-(4-Chlorophenyl)-1'-deoxy-β-<i>D</i>-ribofuranose
• Formula: C11 H13 Cl O4
• Calculated formula: C11 H13 Cl O4
• SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1ccc(cc1)Cl
• 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: 6.7097 ± 0.0009 Å
• b: 6.8447 ± 0.0009 Å
• c: 23.948 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1099.8 ± 0.3 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes