Information card for entry 7057658

Structure parameters

• Formula: C26 H17 N3 O2
• Calculated formula: C26 H17 N3 O2
• Title of publication: Quinoxaline as an integrated directing group in palladium-catalyzed ortho-C‒H bond arylation of the aryl unit of 2-arylquinoxalines
• Authors of publication: Idris, Imane; Derridj, Fazia; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 16036
• a: 9.3417 ± 0.0007 Å
• b: 9.4841 ± 0.0009 Å
• c: 22.2977 ± 0.0018 Å
• α: 90°
• β: 90.72 ± 0.003°
• γ: 90°
• Cell volume: 1975.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No