Information card for entry 4126620

Structure parameters

• Formula: C44 H51 Cl N8
• Calculated formula: C44 H51 Cl N8
• SMILES: [Cl-].N(=NN=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1n(c2c(cc(cc2C)C)C)cc[n+]1c1c(cc(cc1C)C)C.N#CC
• Title of publication: Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.
• Authors of publication: Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 23.316 ± 0.005 Å
• b: 19.506 ± 0.004 Å
• c: 21.187 ± 0.004 Å
• α: 90°
• β: 114.64 ± 0.03°
• γ: 90°
• Cell volume: 8758 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No