Information card for entry 7112045

Structure parameters

• Formula: C58 H50 B3 Cl12 F6 N9
• Calculated formula: C58 H50 B3 Cl12 F6 N9
• Title of publication: Oxidation of 2-amino-substituted BODIPYs providing pyrazine-fused BODIPY trimers
• Authors of publication: Hiroki Yokoi; Naruhiko Wachi; Satoru Hiroto; Hiroshi Shinokubo
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2715
• a: 15.068 ± 0.005 Å
• b: 14.208 ± 0.005 Å
• c: 30.518 ± 0.01 Å
• α: 90°
• β: 99.173 ± 0.004°
• γ: 90°
• Cell volume: 6450 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.11
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2718
• Weighted residual factors for all reflections included in the refinement: 0.2931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No