Information card for entry 4020395

Structure parameters

• Formula: C24 H21 N O4 S
• Calculated formula: C24 H21 N O4 S
• SMILES: S(=O)(=O)([O-])C.O(c1cc2[n+](cc1)cc1c(c3c(cccc3)C1)c2c1ccccc1)C
• 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: 7.9459 ± 0.0015 Å
• b: 10.902 ± 0.002 Å
• c: 12.047 ± 0.002 Å
• α: 96.386 ± 0.003°
• β: 94.215 ± 0.004°
• γ: 95.746 ± 0.004°
• Cell volume: 1028.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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