Information card for entry 7156601

Structure parameters

• Chemical name: 3-arylquinoline
• Formula: C16 H12 Br N
• Calculated formula: C16 H12 Br N
• Title of publication: Catalytic asymmetric synthesis of 3-aryl phthalides enabled by arylation-lactonization of 2-formylbenzoates.
• Authors of publication: Carlos, Andressa M. M.; Stieler, Rafael; Lüdtke, Diogo S
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 283 - 289
• a: 13.856 ± 0.002 Å
• b: 6.4827 ± 0.0011 Å
• c: 28.807 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2587.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1828
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No