Information card for entry 7213393

Structure parameters

• Formula: C14 H9 Cl2 N O2
• Calculated formula: C14 H9 Cl2 N O2
• Title of publication: A novel annelation to quinolines and isoquinolines under Friedel‒Crafts conditions: a one-step synthesis of functionalized pyridoquinolines and pyridoisoquinolines
• Authors of publication: Mahato, Shashi B.; Garai, Subhadra; Weber, Manuela; Luger, Peter
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 2898
• a: 22.123 ± 0.003 Å
• b: 7.04 ± 0.001 Å
• c: 15.937 ± 0.003 Å
• α: 90 ± 0.1°
• β: 92.8 ± 0.1°
• γ: 90 ± 0.1°
• Cell volume: 2479.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No