Information card for entry 2011611

Structure parameters

• Chemical name: 4'-Thio-α-thymidine(R)-S-oxide
• Formula: C10 H14 N2 O5 S
• Calculated formula: C10 H13.604 N2 O5 S
• Title of publication: 5-Methyl-2'-deoxy-4'-thio-α-uridine (<i>R</i>)-<i>S</i>-oxide
• Authors of publication: Sun, Ming; Macculloch, Alasdair C.; Hamor, Thomas A.; Walker, Richard T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1492 - 1493
• a: 8.018 ± 0.008 Å
• b: 20.134 ± 0.013 Å
• c: 7.389 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1192.8 ± 1.9 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: 0.0302
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes