Information card for entry 1550992

Structure parameters

• Formula: C66 H80 N10 O2
• Calculated formula: C66 H80 N10 O2
• 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: 15.2045 ± 0.0003 Å
• b: 19.1034 ± 0.0003 Å
• c: 20.0726 ± 0.0003 Å
• α: 90°
• β: 91.3424 ± 0.0013°
• γ: 90°
• Cell volume: 5828.64 ± 0.17 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No