Information card for entry 1550995

Structure parameters

• Formula: C60 H66 N8
• Calculated formula: C60 H66 N8
• Title of publication: Synthesis of aminyl biradicals by base-induced Csp3–Csp3 coupling of cationic azo dyes
• Authors of publication: Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.5606 ± 0.0006 Å
• b: 14.7631 ± 0.0006 Å
• c: 16.2731 ± 0.0008 Å
• α: 95.28 ± 0.004°
• β: 100.912 ± 0.004°
• γ: 98.331 ± 0.004°
• Cell volume: 2909.5 ± 0.2 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No