Information card for entry 4103223

Structure parameters

• Formula: C36 H37 Br O6
• Calculated formula: C36 H37 Br O6
• Title of publication: Total Synthesis of Plukenetione A
• Authors of publication: Qiang Zhang; Branko Mitasev; Ji Qi; John A. Porco
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14212 - 14215
• a: 16.1664 ± 0.0006 Å
• b: 22.2456 ± 0.0009 Å
• c: 8.7124 ± 0.0004 Å
• α: 90°
• β: 91.709 ± 0.002°
• γ: 90°
• Cell volume: 3131.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No