Information card for entry 4020394

Structure parameters

• Formula: C25 H26 N2 O4 S
• Calculated formula: C25 H26 N2 O4 S
• SMILES: S(=O)(=O)([O-])C.[n+]12c(c(c3c4c(cccc4)Cc3c2)c2ccccc2)cc(N(C)C)cc1.O
• 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: 11.7418 ± 0.0012 Å
• b: 7.5791 ± 0.0007 Å
• c: 25.423 ± 0.003 Å
• α: 90°
• β: 97.206 ± 0.002°
• γ: 90°
• Cell volume: 2244.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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