Information card for entry 4021095

Structure parameters

• Formula: C30 H38 O4
• Calculated formula: C30 H38 O4
• SMILES: [C@]12(C[C@@]3(CCCC(=C)[C@H]3CC1=C(C(=O)O2)C)C)[C@@]12C[C@@]3(CCCC(=C)[C@H]3CC1=C(C(=O)O2)C)C.[C@@]12(C[C@]3(CCCC(=C)[C@@H]3CC1=C(C(=O)O2)C)C)[C@]12C[C@]3(CCCC(=C)[C@@H]3CC1=C(C(=O)O2)C)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: 13.5415 ± 0.0003 Å
• b: 11.9348 ± 0.0003 Å
• c: 16.5925 ± 0.0004 Å
• α: 90°
• β: 106.13 ± 0.0011°
• γ: 90°
• Cell volume: 2576.04 ± 0.11 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