Information card for entry 7153607

Structure parameters

• Formula: C24 H21 N O3 S
• Calculated formula: C24 H21 N O3 S
• SMILES: S(=O)(=O)(N1CC(=Cc2c1cccc2)C(=O)c1ccc(C)cc1)c1ccc(C)cc1
• Title of publication: Efficient synthesis of functionalized dihydroquinolines, quinolines and dihydrobenzo[b]azepine via an iron(iii) chloride-catalyzed intramolecular alkyne-carbonyl metathesis of alkyne tethered 2-amino benzaldehyde/acetophenone derivatives.
• Authors of publication: Jalal, Swapnadeep; Bera, Krishnendu; Sarkar, Soumen; Paul, Kartick; Jana, Umasish
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 1759 - 1770
• a: 8.3806 ± 0.0003 Å
• b: 11.1445 ± 0.0004 Å
• c: 13.0469 ± 0.0005 Å
• α: 107.1 ± 0.003°
• β: 90.343 ± 0.003°
• γ: 93.898 ± 0.003°
• Cell volume: 1161.56 ± 0.08 ų
• Cell temperature: 278 ± 2 K
• Ambient diffraction temperature: 278 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No