Information card for entry 4100858

Structure parameters

• Formula: C21 H17 N3
• Calculated formula: C21 H17 N3
• SMILES: n1(nnc(c1c1ccccc1)c1ccccc1)Cc1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.8358 ± 0.0007 Å
• b: 18.6733 ± 0.0013 Å
• c: 10.182 ± 0.0007 Å
• α: 90°
• β: 117.307 ± 0.001°
• γ: 90°
• Cell volume: 1661.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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