Information card for entry 7104725

Structure parameters

• Formula: C11 H11 Cl3 N3
• Calculated formula: C11 H11 Cl3 N3
• 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: 7.3383 ± 0.0015 Å
• b: 22.678 ± 0.005 Å
• c: 8.0867 ± 0.0016 Å
• α: 90°
• β: 95.07 ± 0.03°
• γ: 90°
• Cell volume: 1340.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1689
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No