Information card for entry 7221970

Structure parameters

• Formula: C31 H37 B F2 N8
• Calculated formula: C31 H37 B F2 N8
• SMILES: F[B]1(F)[n]2c(=C(c3n1c(c1cn(nn1)CCCCCC)cc3)c1ccccc1)ccc2c1cn(CCCCCC)nn1
• Title of publication: Bis-triazolyl BODIPYs: a simple dye with strong red-light emission
• Authors of publication: Guérin, Charles; Jean-Gérard, Ludivine; Octobre, Guillaume G.; Pascal, Simon; Maury, Olivier; pilet, guillaume; Ledoux, Audrey; Andrioletti, Bruno
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.1825 ± 0.001 Å
• b: 9.7365 ± 0.0013 Å
• c: 27.817 ± 0.004 Å
• α: 90°
• β: 94.452 ± 0.01°
• γ: 90°
• Cell volume: 3019.5 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.1582
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0809
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No