Information card for entry 1516025

Structure parameters

• Formula: C63 H54 B2 Cl3 F4 N6
• Calculated formula: C63 H54 B2 Cl3 F4 N6
• Title of publication: Synthesis of Diazo-Bridged BODIPY Dimer and Tetramer by Oxidative Coupling of β-Amino-Substituted BODIPYs.
• Authors of publication: Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 3004 - 3007
• a: 12.421 ± 0.0006 Å
• b: 14.0537 ± 0.0005 Å
• c: 17.9628 ± 0.0006 Å
• α: 66.48 ± 0.02°
• β: 79.82 ± 0.03°
• γ: 80.77 ± 0.02°
• Cell volume: 2815.8 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2219
• Weighted residual factors for all reflections included in the refinement: 0.2603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No