Information card for entry 7160145

Structure parameters

• Formula: C16 H16 Cl N O
• Calculated formula: C16 H16 Cl N O
• Title of publication: Molecular Oxygen Promoted Sustainable Synthesis of Functionalized Quinolines Using Catalytic Glucose Derived Ionic Liquid and Copper
• Authors of publication: Jayakumar, Jyothylakshmi; Rajasekhara Reddy, Sabbasani
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 5.6237 ± 0.0003 Å
• b: 7.7655 ± 0.0005 Å
• c: 16.0712 ± 0.001 Å
• α: 83.991 ± 0.003°
• β: 84.029 ± 0.003°
• γ: 82.486 ± 0.003°
• Cell volume: 689.08 ± 0.07 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.1069
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No