Information card for entry 7155917

Structure parameters

• Formula: C66 H61 B2 Cl3 F4 N4 S2
• Calculated formula: C66 H61 B2 Cl3 F4 N4 S2
• Title of publication: Synthesis of carbazole-based BODIPY dimer showing red fluorescence in the solid state
• Authors of publication: Maeda, Chihiro; Todaka, Takumi; Ueda, Tomomi; Ema, Tadashi
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 8.2634 ± 0.001 Å
• b: 12.174 ± 0.002 Å
• c: 15.232 ± 0.003 Å
• α: 88.77 ± 0.03°
• β: 79.422 ± 0.018°
• γ: 76.323 ± 0.018°
• Cell volume: 1463.2 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No