Information card for entry 1507626

Structure parameters

• Formula: C15 H19 B F2 N2
• Calculated formula: C15 H19 B F2 N2
• SMILES: F[B]1(F)[n]2c(cc(c2=Cc2n1c(c(c2C)CC)C)C)C
• Title of publication: An Improved Method for the Synthesis of F-BODIPYs from Dipyrrins and Bis(dipyrrin)s.
• Authors of publication: Lundrigan, Travis; Baker, Alexander E. G.; Longobardi, Lauren E.; Wood, Tabitha E.; Smithen, Deborah A.; Crawford, Sarah M.; Cameron, T. Stanley; Thompson, Alison
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2158 - 2161
• a: 8.6184 ± 0.0009 Å
• b: 9.2516 ± 0.001 Å
• c: 10.4144 ± 0.001 Å
• α: 74.069 ± 0.005°
• β: 66.256 ± 0.005°
• γ: 84.454 ± 0.006°
• Cell volume: 730.81 ± 0.13 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No