Information card for entry 7226222

Structure parameters

• Formula: C15.33 H11.33 B Cl F2 N2
• Calculated formula: C15.3333 H11.3333 B Cl F2 N2
• 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: 8.1738 ± 0.0005 Å
• b: 10.1538 ± 0.0006 Å
• c: 27.937 ± 0.0017 Å
• α: 80.058 ± 0.003°
• β: 89.87 ± 0.003°
• γ: 72.418 ± 0.003°
• Cell volume: 2174.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0901
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No