Information card for entry 4116217

Structure parameters

• Formula: C38 H49 O8
• Calculated formula: C38 H40 O8
• Title of publication: Total Synthesis of (\±)-Torreyanic Acid
• Authors of publication: Chaomin Li; Emil Lobkovsky; John A. Porco
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 10484 - 10485
• a: 8.1252 ± 0.0012 Å
• b: 13.613 ± 0.002 Å
• c: 16.659 ± 0.003 Å
• α: 82.429 ± 0.005°
• β: 78.351 ± 0.005°
• γ: 73.558 ± 0.005°
• Cell volume: 1725.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0951
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No