Information card for entry 4100197

Structure parameters

• Formula: C27 H19 N2 O
• Calculated formula: C27 H20 N2 O
• SMILES: n1(c(nc(c1c1ccccc1)c1ccccc1)c1c(O)cccc1)c1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 10.442 ± 0.002 Å
• b: 10.423 ± 0.002 Å
• c: 18.967 ± 0.004 Å
• α: 91.734 ± 0.004°
• β: 97.363 ± 0.004°
• γ: 91.588 ± 0.004°
• Cell volume: 2045.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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