Information card for entry 7117225

Structure parameters

• Chemical name: 8,8'-Biquinoline 1,1'-dioxide
• Formula: C18 H12 N2 O2
• Calculated formula: C18 H12 N2 O2
• SMILES: n1(=O)c2c(c3c4n(=O)cccc4ccc3)cccc2ccc1
• Title of publication: Experimental and mechanistic analysis of the palladium-catalyzed oxidative C8-selective C-H homocoupling of quinoline N-oxides
• Authors of publication: David E. Stephens; Johant Lakey-Beitia; Gabriel Chavez; Carla Ilie; Hadi D. Arman; Oleg V. Larionov
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9507
• a: 7.72 ± 0.005 Å
• b: 21.073 ± 0.012 Å
• c: 8.161 ± 0.005 Å
• α: 90°
• β: 92.202 ± 0.01°
• γ: 90°
• Cell volume: 1326.7 ± 1.4 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No