Information card for entry 2021738

Structure parameters

• Chemical name: 2,3,4,6-Tetra-<i>O</i>-acetyl-α-<i>D</i>-mannopyranosyl-(1\ρightarrow2)-\ 3,4,6-tri-<i>O</i>-acetyl-α-<i>D</i>-mannopyranosyl-(1\ρightarrow3)-\ 1,2,4,6-tetra-<i>O</i>-acetyl-α-<i>D</i>-mannopyranose
• Formula: C40 H54 O27
• Calculated formula: C40 H54 O27
• Title of publication: Structural properties of <small>D</small>-mannopyranosyl rings containing <i>O</i>-acetyl side-chains
• Authors of publication: Turney, Toby; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1166 - 1174
• a: 9.1043 ± 0.0002 Å
• b: 21.477 ± 0.0005 Å
• c: 13.8106 ± 0.0003 Å
• α: 90°
• β: 91.8362 ± 0.0008°
• γ: 90°
• Cell volume: 2699.04 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes