Information card for entry 7226218

Structure parameters

• Formula: C15 H13 B F2 N2 O2
• Calculated formula: C15 H13 B F2 N2 O2
• SMILES: c1ccc2C(=c3ccc[n]3[B](n12)(F)F)c1ccc(cc1)O.O
• Title of publication: Synthesis, structure, photophysical, electrochemical properties and antibacterial activity of brominated BODIPYs
• Authors of publication: Prasannan, Dijo; Raghav, Darpan; Subramaniam, Sujatha; Hareendrakrishna kumar, Haritha; K, Rathinasamy; Arunkumar, Chellaiah
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 18.456 ± 0.002 Å
• b: 7.9351 ± 0.0007 Å
• c: 19.4327 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2845.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No