Information card for entry 4125297

Structure parameters

• Formula: C30 H36 O4
• Calculated formula: C30 H36 O4
• Title of publication: Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.
• Authors of publication: Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 44
• Pages of publication: 14789 - 14797
• a: 14.1854 ± 0.0002 Å
• b: 19.4283 ± 0.0003 Å
• c: 19.7516 ± 0.0003 Å
• α: 90°
• β: 102.419 ± 0.001°
• γ: 90°
• Cell volume: 5316.13 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No