Information card for entry 4131061

Structure parameters

• Formula: C31 H37 N4
• Calculated formula: C31 H37 N4
• SMILES: N(=N[C]1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(c(cc(c1C)C)C)C
• Title of publication: Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.
• Authors of publication: Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 46
• Pages of publication: 15126 - 15129
• a: 20.761 ± 0.004 Å
• b: 14.769 ± 0.003 Å
• c: 21.005 ± 0.004 Å
• α: 90°
• β: 93.28 ± 0.03°
• γ: 90°
• Cell volume: 6430 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1134
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No