Information card for entry 4342783

Structure parameters

• Formula: C15 H10 B Br F2 N2
• Calculated formula: C15 H10 B Br F2 N2
• SMILES: Brc1ccc(C2=c3[n](ccc3)[B](F)(F)n3c2ccc3)cc1
• Title of publication: Corrole-BODIPY Dyads: Synthesis, Structure, and Electrochemical and Photophysical Properties.
• Authors of publication: Basumatary, Biju; Raja Sekhar, Adiki; Ramana Reddy, R. V.; Sankar, Jeyaraman
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4257 - 4267
• a: 7.7681 ± 0.0004 Å
• b: 7.922 ± 0.0004 Å
• c: 11.8432 ± 0.0006 Å
• α: 85.63 ± 0.003°
• β: 80.383 ± 0.003°
• γ: 74.105 ± 0.003°
• Cell volume: 690.74 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No