Information card for entry 1506187

Structure parameters

• Formula: C32 H40 O6
• Calculated formula: C32 H40 O6
• Title of publication: Progress toward the total synthesis of bacchopetiolone: application of a tandem aromatic oxidation/Diels-Alder reaction.
• Authors of publication: Bérubé, Amélie; Drutu, Ioana; Wood, John L.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 24
• Pages of publication: 5421 - 5424
• a: 26.12 ± 0.005 Å
• b: 9.092 ± 0.0018 Å
• c: 11.853 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2814.9 ± 0.9 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.534
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No