Information card for entry 4100498

Structure parameters

• Formula: C34 H28 N2 O
• Calculated formula: C34 H28 N2 O
• SMILES: Oc1c(cccc1/C=N/c1cccc2cccnc12)c1c2c(ccc(c2cc2c(ccc(c12)C)C)C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 10.2408 ± 0.0005 Å
• b: 14.2305 ± 0.0008 Å
• c: 17.7423 ± 0.0013 Å
• α: 90°
• β: 101.205 ± 0.009°
• γ: 90°
• Cell volume: 2536.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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