Information card for entry 1520443

Structure parameters

• Formula: C32 H24 B Cl2 F2 N3
• Calculated formula: C32 H24 B Cl2 F2 N3
• SMILES: c1cc2ccccc2c2c1n1c3c2c2ccccc2cc3C2c3ccccc3\C([N]=2[B]1(F)F)=C/N(C)C.C(Cl)Cl
• Title of publication: Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.
• Authors of publication: Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 3090 - 3093
• a: 7.3425 ± 0.0014 Å
• b: 11.0127 ± 0.0016 Å
• c: 15.884 ± 0.003 Å
• α: 94.772 ± 0.004°
• β: 97.467 ± 0.007°
• γ: 91.375 ± 0.01°
• Cell volume: 1268.3 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No