Information card for entry 4100188

Structure parameters

• Formula: C27 H24 Br O6
• Calculated formula: C27 H24 Br O6
• SMILES: Brc1ccc(C(=O)OCc2cccc3OCC(=CCC4C(CC(=O)C(C(=O)c23)C4=O)C)C)cc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.2219 ± 0.0008 Å
• b: 9.2783 ± 0.0009 Å
• c: 15.7089 ± 0.0015 Å
• α: 99.007 ± 0.002°
• β: 91.117 ± 0.002°
• γ: 97.868 ± 0.002°
• Cell volume: 1171.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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