Information card for entry 2202060

Structure parameters

• Common name: per-(3-deoxy)-α-cyclomannin
• Chemical name: cyclohexakis[(1\ρightarrow4)-3-deoxy-α-D-arabino-hexopyranosyl]
• Formula: C40 H82 O31
• Calculated formula: C40 H72 O31
• Title of publication: Per(3-deoxy)-α-cyclomannin: an <i>n</i>-butanol hexahydrate inclusion complex
• Authors of publication: Lindner, Hans J.; Lichtenthaler, Frieder W.; Fujita, Kahee; Yang, Cheng; Yuan, De-Qi; Nogami, Yasuyoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o387 - o389
• a: 7.3995 ± 0.0005 Å
• b: 24.4481 ± 0.0018 Å
• c: 14.2649 ± 0.0008 Å
• α: 90°
• β: 99.116 ± 0.005°
• γ: 90°
• Cell volume: 2548 ± 0.3 ų
• Cell temperature: 211 ± 2 K
• Ambient diffraction temperature: 211 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes