Information card for entry 4030754

Structure parameters

• Formula: C18 H12 N2 O2
• Calculated formula: C18 H12 N2 O2
• SMILES: o1c(ncc1c1ccccc1)c1n(=O)c2c(cc1)cccc2
• Title of publication: Copper-mediated formally dehydrative biaryl coupling of azine N-oxides and oxazoles.
• Authors of publication: Odani, Riko; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 4
• Pages of publication: 2384 - 2391
• a: 10.2831 ± 0.0011 Å
• b: 21.4073 ± 0.0019 Å
• c: 25.129 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5531.7 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No