Information card for entry 7044790

Structure parameters

• Formula: C23 H15 B F2 N2 S4
• Calculated formula: C23 H15 B F2 N2 S4
• Title of publication: Bodipy Dyes with Thienyl- and Dithienythio-Substituents – Synthesis, Redox and Fluorescent Properties
• Authors of publication: Leushina, Evgenia; Usoltsev, Ilya; Bezzubov, Stanislav; Moiseeva, Anna A.; Terenina, Maria; Anisimov, Alexander; Taidakov, Ilya V.; Khoroshutin, Andrey
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 10.9246 ± 0.0006 Å
• b: 11.2207 ± 0.0007 Å
• c: 18.6557 ± 0.0011 Å
• α: 90°
• β: 90.402 ± 0.001°
• γ: 90°
• Cell volume: 2286.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No