Information card for entry 4100496

Structure parameters

• Formula: C25 H22 O2
• Calculated formula: C25 H22 O2
• SMILES: Oc1c(cccc1c1c2c(ccc(c2cc2c(ccc(c12)C)C)C)C)C=O
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 13.085 ± 0.002 Å
• b: 11.329 ± 0.002 Å
• c: 13.562 ± 0.003 Å
• α: 90°
• β: 109.002 ± 0.014°
• γ: 90°
• Cell volume: 1900.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No