Information card for entry 1506318

Structure parameters

• Formula: C9 H10 F2 N2 O4 S
• Calculated formula: C9 H9.5 F2.2 N2 O4 S
• Title of publication: Synthesis of L-beta-3'-deoxy-3',3'-difluoro-4'-thionucleosides.
• Authors of publication: Zheng, Feng; Zhang, Xiao-Hua; Qiu, Xiao-Long; Zhang, Xingang; Qing, Feng-Ling
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 26
• Pages of publication: 6083 - 6086
• a: 6.4138 ± 0.0005 Å
• b: 10.5196 ± 0.0009 Å
• c: 17.152 ± 0.0014 Å
• α: 90°
• β: 99.808 ± 0.001°
• γ: 90°
• Cell volume: 1140.34 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No