Information card for entry 7118001

Structure parameters

• Formula: C26 H15 B
• Calculated formula: C26 H15 B
• SMILES: B12c3c4c(c5c1c(ccc5)c1c5c2cccc5ccc1)cccc4ccc3
• 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: 3.9791 ± 0.0012 Å
• b: 19.948 ± 0.006 Å
• c: 20.208 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1604 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1732
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7117997
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No