Information card for entry 1506998

Structure parameters

• Formula: C14 H25 F2 N O6
• Calculated formula: C14 H25 F2 N O6
• SMILES: O1C[C@@H](OC1(C)C)[C@H](NC(=O)OC(C)(C)C)C(F)(F)[C@@H](O)CO.O1C[C@H](OC1(C)C)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)[C@H](O)CO
• Title of publication: Synthesis of new 2',3'-dideoxy-6',6'-difluoro-3'-thionucleoside from gem-difluorohomoallyl alcohol.
• Authors of publication: Wu, Yun-Yun; Zhang, Xingang; Meng, Wei-Dong; Qing, Feng-Ling
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 22
• Pages of publication: 3941 - 3944
• a: 11.017 ± 0.002 Å
• b: 9.2673 ± 0.0019 Å
• c: 17.859 ± 0.004 Å
• α: 90°
• β: 107.935 ± 0.004°
• γ: 90°
• Cell volume: 1734.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1547
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.772
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No