Information card for entry 2008575

Structure parameters

• Chemical name: (2R,3S)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9H-purin-9-yl)oxolane
• Formula: C18 H19 Cl N4 O2
• Calculated formula: C18 H19 Cl N4 O2
• SMILES: Clc1ncnc2c1ncn2[C@H]1CCO[C@@H]1CCOCc1ccccc1
• Title of publication: (2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane
• Authors of publication: George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 1005 - 1008
• a: 7.5238 ± 0.0005 Å
• b: 10.9972 ± 0.0008 Å
• c: 20.9169 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1730.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.105
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No