Information card for entry 4101236

Structure parameters

• Formula: C20 H14 O4
• Calculated formula: C20 H14 O4
• SMILES: c1(C(=O)OCC#CC#CCOC(=O)c2ccccc2)ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 14.038 ± 0.002 Å
• b: 4.3526 ± 0.001 Å
• c: 14.864 ± 0.002 Å
• α: 90°
• β: 117.055 ± 0.016°
• γ: 90°
• Cell volume: 808.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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