Information card for entry 7151960

Structure parameters

• Formula: C26 H35 N5 O11 S
• Calculated formula: C26 H33 N5 O11 S
• SMILES: S1CC(=O)N([C@H]2C[C@H](N3C=C(C(=O)NC3=O)C)O[C@@H]2CO)[C@H]1[C@@H]1O[C@@H](N2C=C(C(=O)NC2=O)C)[C@@H]2OC(O[C@H]12)(C)C.OC
• Title of publication: Microwave-assisted synthesis of dinucleoside analogues containing a thiazolidin-4-one linkage via one-pot tandem Staudinger/aza-Wittig/cyclization.
• Authors of publication: Shen, Fengjuan; Li, Xiaoliu; Zhang, Xiaoyuan; Yin, Qingmei; Qin, Zhanbin; Chen, Hua; Zhang, Jinchao; Ma, Zhaipu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 16
• Pages of publication: 5766 - 5772
• a: 8.5748 ± 0.0006 Å
• b: 14.9184 ± 0.001 Å
• c: 23.0172 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2944.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1144
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No