Information card for entry 4021307

Structure parameters

• Formula: C14 H11 N O2
• Calculated formula: C14 H11 N O2
• SMILES: O=c1[nH]c2CCCc2c2oc3c(c12)cccc3
• 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: 5.4105 ± 0.0006 Å
• b: 9.3372 ± 0.0011 Å
• c: 10.7931 ± 0.0013 Å
• α: 76.442 ± 0.002°
• β: 87.201 ± 0.002°
• γ: 82.199 ± 0.002°
• Cell volume: 525.07 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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