Information card for entry 4020619

Structure parameters

• Common name: Paquette 1326a
• Formula: C24 H34 O5
• Calculated formula: C24 H34 O5
• SMILES: O=C1[C@]23[C@](O)(C(=C1OC(C)C)OC(C)C)CC[C@H]2C[C@@]1([C@H](C(=O)C=C31)C(C)C)C.O=C1[C@@]23[C@@](O)(C(=C1OC(C)C)OC(C)C)CC[C@@H]2C[C@]1([C@@H](C(=O)C=C31)C(C)C)C
• Title of publication: Competitive Stereochemical Control Operative during Conrotatory Electrocyclization of Helically Equilibrating Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates
• Authors of publication: Leo A. Paquette; Zuosheng Liu; Charla Ramsey; Judith C. Gallucci
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8154 - 8161
• a: 12.379 ± 0.001 Å
• b: 12.63 ± 0.001 Å
• c: 29.244 ± 0.004 Å
• α: 88.09 ± 0.003°
• β: 86.149 ± 0.004°
• γ: 89.771 ± 0.005°
• Cell volume: 4559.6 ± 0.8 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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