Information card for entry 4101055

Structure parameters

• Formula: C23 H14 N2 O2
• Calculated formula: C23 H14 N2 O2
• SMILES: c1c2c3ccccc3c3ccccc3c3cc(ccc3c2ccn1)N(=O)=O
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 9.5369 ± 0.0008 Å
• b: 9.6309 ± 0.0008 Å
• c: 18.0131 ± 0.0016 Å
• α: 90°
• β: 92.128 ± 0.003°
• γ: 90°
• Cell volume: 1653.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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