Information card for entry 7154646

Structure parameters

• Formula: C16 H7 B Br F7 N2 O
• Calculated formula: C16 H7 B Br F7 N2 O
• SMILES: Brc1n2c(C(=c3[n](c(OC)cc3)[B]2(F)F)c2c(F)c(F)c(F)c(F)c2F)cc1
• Title of publication: Dual-mode chemodosimetric response of dibromo-BODIPY with anions.
• Authors of publication: Raja Sekhar, Adiki; Kaloo, Masood Ayoub; Sankar, Jeyaraman
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 40
• Pages of publication: 10155 - 10161
• a: 11.3455 ± 0.0012 Å
• b: 10.2153 ± 0.001 Å
• c: 14.3393 ± 0.0013 Å
• α: 90°
• β: 94.725 ± 0.005°
• γ: 90°
• Cell volume: 1656.2 ± 0.3 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: 0.041
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No