Information card for entry 4126622

Structure parameters

• Formula: C54 H72 N7
• Calculated formula: C54 H72 N7
• 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: 12.821 ± 0.003 Å
• b: 28.197 ± 0.006 Å
• c: 13.549 ± 0.003 Å
• α: 90°
• β: 93.77 ± 0.03°
• γ: 90°
• Cell volume: 4887.6 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.1073
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No