Information card for entry 2010121

Structure parameters

• Formula: C30 H36 O9
• Calculated formula: C32 H46 O9
• Title of publication: Molecular geometry of a pyran‒dioxane‒cyclohexane tricycle with linear <i>cis</i>‒<i>trans</i>-fusion of rings
• Authors of publication: Cuny, E.; Lichtenthaler, F.W.; Lindner, H.J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 1599 - 1601
• a: 18.752 ± 0.003 Å
• b: 18.37 ± 0.003 Å
• c: 8.471 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2918 ± 1 ų
• Cell temperature: 293 ± 2 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 significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1481
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No