Information card for entry 7116977

Structure parameters

• Common name: 6-methyl-8-(4-methylphenylsulfonamido)quinoline N-oxide
• Formula: C17 H16 N2 O3 S
• Calculated formula: C17 H16 N2 O3 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)Nc1c2n(=O)cccc2cc(c1)C
• Title of publication: Copper-catalyzed oxygen atom transfer of N-oxides leading to a facile deoxygenation procedure applicable to both heterocyclic and amine N-oxides
• Authors of publication: Jisu Jeong; Donggun Lee; Sukbok Chang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7035
• a: 26.8782 ± 0.0011 Å
• b: 8.2244 ± 0.0003 Å
• c: 19.4674 ± 0.0008 Å
• α: 90°
• β: 132.644 ± 0.0012°
• γ: 90°
• Cell volume: 3165.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No