Information card for entry 4021096

Structure parameters

• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• SMILES: C1(=O)C(=C2[C@](C[C@]3(CCCC(=C)[C@@H]3C2)C)(O1)O)C.C1(=O)C(=C2[C@@](C[C@@]3(CCCC(=C)[C@H]3C2)C)(O1)O)C
• Title of publication: Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide
• Authors of publication: Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 9100 - 9108
• a: 12.2308 ± 0.0004 Å
• b: 6.6948 ± 0.0003 Å
• c: 15.6664 ± 0.0006 Å
• α: 90°
• β: 91.3727 ± 0.0018°
• γ: 90°
• Cell volume: 1282.44 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No