Information card for entry 1503889

Structure parameters

• Formula: C27 H35 B F2 N2
• Calculated formula: C27 H35 B F2 N2
• SMILES: F[B]1(F)[n]2c(cc(c2=C(c2cc(cc(c2)C(C)(C)C)C(C)(C)C)c2n1c(cc2C)C)C)C
• Title of publication: Solid-state emissive BODIPY dyes with bulky substituents as spacers.
• Authors of publication: Ozdemir, Tugba; Atilgan, Serdar; Kutuk, Ilker; Yildirim, Leyla T.; Tulek, Abdullah; Bayindir, Mehmet; Akkaya, Engin U.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2105 - 2107
• a: 6.7325 ± 0.001 Å
• b: 12.196 ± 0.002 Å
• c: 15.301 ± 0.002 Å
• α: 90°
• β: 101.739 ± 0.01°
• γ: 90°
• Cell volume: 1230.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No