Information card for entry 2006340

Structure parameters

• Chemical name: (5,2'-dithien-2-yl)-2'-deoxyuridine
• Formula: C17 H16 N2 O5 S2
• Calculated formula: C17 H16 N2 O5 S2
• Title of publication: <i>trans</i>- and <i>cis</i>-S—C—C—S Conformations in 5-(2,2'-Dithien-5-yl)-2'-deoxyuridine
• Authors of publication: Wouters, J.; Creuven, I.; Norberg, B.; Evrard, G.; Durant, F.; van Aerschot, A.; Herdewijn, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 892 - 895
• a: 14.58 ± 0.002 Å
• b: 18.5345 ± 0.001 Å
• c: 6.4477 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1742.4 ± 0.3 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: 0.048
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.1135
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No