Information card for entry 4101017

Structure parameters

• Formula: C29 H30 O5
• Calculated formula: C19.3333 H20 O3.33333
• SMILES: O=C1CC(CC(=C2C(=C1C)CC(C2)(C(=O)OC)C(=O)OC)C)(c1ccccc1)c1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 8.928 ± 0.002 Å
• b: 11.884 ± 0.003 Å
• c: 12.955 ± 0.003 Å
• α: 95.42 ± 0.01°
• β: 109.67 ± 0.01°
• γ: 107.105 ± 0.006°
• Cell volume: 1208.1 ± 0.5 ų
• Cell temperature: 296.1 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