Information card for entry 7112046

Structure parameters

• Formula: C80.12 H67.72 B3 Cl1.09 F6 N15.52 O6.25
• Calculated formula: C80.118 H67.7216 B3 Cl1.088 F6 N15.515 O6.25
• 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: 14.6707 ± 0.0006 Å
• b: 17.145 ± 0.0007 Å
• c: 18.0545 ± 0.001 Å
• α: 118.335 ± 0.0017°
• β: 96.657 ± 0.003°
• γ: 90.695 ± 0.002°
• Cell volume: 3958.5 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2442
• Weighted residual factors for all reflections included in the refinement: 0.2809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No