Information card for entry 4100468

Structure parameters

• Formula: C20 H18 N2 O2
• Calculated formula: C20 H18 N2 O2
• SMILES: O(c1c2CCc3cc(c(CCc(c1)c(OC)c2)cc3C#N)C#N)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.6118 ± 0.0006 Å
• b: 8.2267 ± 0.0005 Å
• c: 22.13 ± 0.001 Å
• α: 90°
• β: 97.9041 ± 0.0006°
• γ: 90°
• Cell volume: 1553 ± 0.2 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• 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