Information card for entry 7155918

Structure parameters

• Formula: C56.61 H52 B2 Cl1.23 F4 N6 S4
• Calculated formula: C56.6035 H52 B2 Cl1.207 F4 N6 S4
• 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: 9.6199 ± 0.0015 Å
• b: 11.2244 ± 0.0019 Å
• c: 24.169 ± 0.004 Å
• α: 88.899 ± 0.015°
• β: 85.634 ± 0.013°
• γ: 83.446 ± 0.012°
• Cell volume: 2585 ± 0.7 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: 0.0557
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No