Information card for entry 4100857

Structure parameters

• Formula: C22 H19 N3 O
• Calculated formula: C22 H19 N3 O
• SMILES: OC(c1n(nnc1)Cc1ccccc1)(c1ccccc1)c1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.5472 ± 0.0009 Å
• b: 10.0099 ± 0.001 Å
• c: 10.6006 ± 0.001 Å
• α: 89.779 ± 0.002°
• β: 74.853 ± 0.002°
• γ: 64.089 ± 0.002°
• Cell volume: 872.44 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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