Information card for entry 4020600

Structure parameters

• Formula: C31 H38 O6
• Calculated formula: C31 H38 O6
• SMILES: O=C(OCCC[C@@H]1CCC[C@H]2[C@]31OC(O[C@@H]3CC[C@H]2COC(=O)c1ccccc1)(C)C)c1ccccc1.O=C(OCCC[C@H]1CCC[C@@H]2[C@@]31OC(O[C@H]3CC[C@@H]2COC(=O)c1ccccc1)(C)C)c1ccccc1
• Title of publication: Studies toward the Total Synthesis of Vinigrol. Synthesis of the Octalin Ring
• Authors of publication: Louis Morency; Louis Barriault
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8841 - 8853
• a: 8.3015 ± 0.0018 Å
• b: 11.127 ± 0.003 Å
• c: 15.551 ± 0.003 Å
• α: 90.438 ± 0.004°
• β: 104.188 ± 0.004°
• γ: 104.02 ± 0.004°
• Cell volume: 1347.7 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No