Information card for entry 2213721

Structure parameters

• Chemical name: 3-(Dimethoxythiophosphorylamido)-2-(2',3',4'-tri-O-acetyl-β-D- xylopyranos-1'-ylimino)-1,3-thiazolidin-4-one
• Formula: C16 H24 N3 O10 P S2
• Calculated formula: C16 H24 N3 O10 P S2
• SMILES: P(=S)(OC)(OC)NN1C(=O)CS\C1=N/[C@@H]1OC[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
• Title of publication: 3-(Dimethoxythiophosphorylamido)-2-(2',3',4'-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranos-1'-ylimino)-1,3-thiazolidin-4-one
• Authors of publication: Cheng, Hai-Ying; Li, Yu-Xin; Wang, Xian-An; Li, Zheng-Ming; Song, Hai-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2861 - o2862
• a: 7.517 ± 0.004 Å
• b: 6.819 ± 0.003 Å
• c: 22.574 ± 0.011 Å
• α: 90°
• β: 98.626 ± 0.007°
• γ: 90°
• Cell volume: 1144 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes