Information card for entry 1543724

Structure parameters

• Chemical name: N-(2,3,4-Tri-O-acetyl-6-deoxy-α-L-mannopyranos -1-yl) thiourea
• Formula: C13 H20 N2 O7 S
• Calculated formula: C13 H20 N2 O7 S
• SMILES: S=C(N[C@@H]1O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C)C)N
• Title of publication: Resolving the α-Glycosidic Linkage of Arginine-Rhamnosylated Translation Elongation Factor P (EF-P) Triggers Generation of the First ArgRha Specific Antibody
• Authors of publication: Li, Xiang; Krafczyk, Ralph; Macosek, Jakub; Li, Yulei; Zou, Yan; Simon, Bernd; Pan, Xing; Wu, Qiuye; Yan, Fang; Hennig, Janosch; Jung, Kirsten; Lassak, Jürgen; Hu, Honggang
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• a: 8.984 ± 0.005 Å
• b: 10.648 ± 0.006 Å
• c: 18.894 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1807.4 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No