Information card for entry 7104724

Structure parameters

• Formula: C20 H18 N6
• Calculated formula: C20 H18 N6
• SMILES: c12c(ccc(n2)/N=N/c2ccc3c(nc(cc3C)C)n2)c(cc(n1)C)C
• Title of publication: A novel Kolbe reaction pathway for a selective one- and two-electron reduction of azo compounds.
• Authors of publication: Fu, Wen-Fu; Li, Huifang-Jie; Wang, De-Hui; Zhou, Liang-Jun; Li, Li; Gan, Xin; Xu, Quan-Qing; Song, Hai-Bin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5524 - 5526
• a: 8.017 ± 0.004 Å
• b: 10.788 ± 0.006 Å
• c: 10.389 ± 0.006 Å
• α: 90°
• β: 96.298 ± 0.007°
• γ: 90°
• Cell volume: 893 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.1191
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No