Information card for entry 7117999

Structure parameters

• Formula: C26 H15 B F2 I2
• Calculated formula: C26 H15 B F2 I2
• SMILES: B(c1c(cccc1F)F)(c1c2c(I)cccc2ccc1)c1c2c(I)cccc2ccc1
• Title of publication: A boron-doped helicene as a highly soluble, benchtop-stable green emitter
• Authors of publication: Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 87
• Pages of publication: 15808 - 15810
• a: 20.082 ± 0.003 Å
• b: 9.3614 ± 0.0008 Å
• c: 14.777 ± 0.0018 Å
• α: 90°
• β: 126.854 ± 0.008°
• γ: 90°
• Cell volume: 2222.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7117995
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No