Information card for entry 4020398

Structure parameters

• Formula: C22 H15 N O
• Calculated formula: C22 H15 N O
• SMILES: O=C1N2C=C3Cc4ccccc4C3=C(C2=CC=C1)c1ccccc1
• Title of publication: Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes
• Authors of publication: Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6647 - 6652
• a: 9.2246 ± 0.0008 Å
• b: 11.634 ± 0.0011 Å
• c: 14.77 ± 0.0014 Å
• α: 90°
• β: 91.058 ± 0.002°
• γ: 90°
• Cell volume: 1584.8 ± 0.3 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