Information card for entry 4342784

Structure parameters

• Formula: C16 H10 B Br F2 N2 O
• Calculated formula: C16 H10 B Br F2 N2 O
• SMILES: Brc1ccc(C2=c3[n](cc(c3)C=O)[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: 11.5531 ± 0.0008 Å
• b: 8.7314 ± 0.0007 Å
• c: 15.0856 ± 0.001 Å
• α: 90°
• β: 97.196 ± 0.003°
• γ: 90°
• Cell volume: 1509.77 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No