Information card for entry 4116994

Structure parameters

• Formula: C15 H20 N4
• Calculated formula: C15 H20 N4
• SMILES: [C@H]12CC[C@H]([C@H]3[C@@H]1C1CC3[C@H]3[C@@H]1[C@@H]1N=N[C@H]3CC1)N=N2
• Title of publication: Intramolecular Electron Transfer between Doubly Six σ-Bond-Linked Trialkyldiazenium Cation and Diazenyl Radical Units
• Authors of publication: Stephen F. Nelsen; Dwight A. Trieber; J. Jens Wolff; Douglas R. Powell; Shervalen Rogers-Crowley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 6873 - 6882
• a: 8.352 ± 0.002 Å
• b: 10.2231 ± 0.001 Å
• c: 14.2308 ± 0.001 Å
• α: 90°
• β: 97.974 ± 0.008°
• γ: 90°
• Cell volume: 1203.3 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.1182
• Goodness-of-fit parameter for all reflections: 1.098
• Goodness-of-fit parameter for significantly intense reflections: 1.125
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No