Information card for entry 2021737

Structure parameters

• Chemical name: 1,2,3,4,6-Penta-<i>O</i>-acetyl-α-<i>D</i>-mannopyranose
• Formula: C16 H22 O11
• Calculated formula: C16 H22 O11
• 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: 8.8434 ± 0.0004 Å
• b: 15.1918 ± 0.0006 Å
• c: 43.0639 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5785.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes