Information card for entry 1553166

Structure parameters

• Formula: C10 H8 N4 O
• Calculated formula: C10 H8 N4 O
• SMILES: O=n1c2c(cc(c1N=N#N)C)cccc2
• Title of publication: The development of carbene-stabilized N‒O radical coupling strategy in metal-free regioselective C‒H azidation of quinoline N-oxides
• Authors of publication: Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 1313
• a: 7.008 ± 0.002 Å
• b: 13.515 ± 0.004 Å
• c: 19.467 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1843.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No