Information card for entry 4021303

Structure parameters

• Formula: C16 H12 N2 O
• Calculated formula: C16 H12 N2 O
• SMILES: O=C1Nc2ccccc2c2n(c3c(c12)cccc3)C
• Title of publication: Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
• Authors of publication: Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4500 - 4508
• a: 6.6162 ± 0.0006 Å
• b: 8.2161 ± 0.0008 Å
• c: 21.597 ± 0.002 Å
• α: 90°
• β: 91.489 ± 0.002°
• γ: 90°
• Cell volume: 1173.59 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No