Information card for entry 4135092

Structure parameters

• Formula: C31 H48.67 N O10.33
• Calculated formula: C30.9999 H48.6664 N O10.3333
• Title of publication: Highly Selective β-Mannosylations and β-Rhamnosylations Catalyzed by a Bis-thiourea.
• Authors of publication: Li, Qiuhan; Levi, Samuel; Jacobsen, Eric N.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 5.1612 ± 0.0003 Å
• b: 30.938 ± 0.002 Å
• c: 9.7231 ± 0.0006 Å
• α: 90°
• β: 91.905 ± 0.003°
• γ: 90°
• Cell volume: 1551.7 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No