Information card for entry 4125296

Structure parameters

• Formula: C32 H38 O4
• Calculated formula: C32 H38 O4
• SMILES: O1C2=C(C(=O)[C@]3(C(=O)[C@@]2(C[C@@H](C3(C)C)CC=C)C[C@H](C1(C)C)CC=C)CC=C)C(=O)c1ccccc1.O1C2=C(C(=O)[C@@]3(C(=O)[C@]2(C[C@H](C3(C)C)CC=C)C[C@@H](C1(C)C)CC=C)CC=C)C(=O)c1ccccc1
• 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: 23.1187 ± 0.0004 Å
• b: 7.8379 ± 0.0002 Å
• c: 15.2175 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2757.44 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0772
• 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: No
• Has Fobs: No