Information card for entry 1573537

Structure parameters

• Chemical name: (±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>SR</i>,14<i>SR</i>,15<i>SR</i>,16<i>RS</i>)-13-Acetoxy-16-benzyloxy-15-hydroxy-7-methoxymethoxy-3-oxo-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadecan-10-yl benzoate
• Formula: C38 H48 O11
• Calculated formula: C38 H48 O11
• a: 9.6913 ± 0.0007 Å
• b: 11.8313 ± 0.0008 Å
• c: 14.9295 ± 0.0009 Å
• α: 96.304 ± 0.002°
• β: 94.004 ± 0.002°
• γ: 93.651 ± 0.002°
• Cell volume: 1692.9 ± 0.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No