Information card for entry 2209673

Structure parameters

• Chemical name: <i>p</i>-Tolyl 3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3,6-trideoxy-1-thio-α-L-<i>lyxo</i>-hexopyranoside
• Formula: C14 H17 N O3 S
• Calculated formula: C14 H17 N O3 S
• SMILES: S([C@@H]1O[C@H]([C@H]2OC(=O)N[C@H]2C1)C)c1ccc(cc1)C
• Title of publication: <i>p</i>-Tolyl 3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3,6-trideoxy-1-thio-α-<small>L</small>-<i>lyxo</i>-hexopyranoside
• Authors of publication: Mendlik, Matthew T.; Coleman, Robert S.; Qi, Guizhong; Lowary, Todd L.; Ferguson, Michael J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2788 - o2790
• a: 5.9331 ± 0.0006 Å
• b: 6.0141 ± 0.0006 Å
• c: 38.941 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1389.5 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes