Information card for entry 7226221

Structure parameters

• Formula: C16 H13 B F2 N2
• Calculated formula: C16 H13 B F2 N2
• SMILES: c1ccc2C(=c3ccc[n]3[B](n12)(F)F)c1ccc(cc1)C
• 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: 8.0364 ± 0.0003 Å
• b: 8.0696 ± 0.0004 Å
• c: 11.0822 ± 0.0005 Å
• α: 88.549 ± 0.002°
• β: 84.664 ± 0.002°
• γ: 71.997 ± 0.002°
• Cell volume: 680.53 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No