Information card for entry 7049166

Structure parameters

• Common name: 3-Me
• Chemical name: 3-Me
• Formula: C40 H52 B4 F12 N4
• Calculated formula: C40 H52 B4 F12 N4
• Title of publication: Alkylammoniotrifluoroborate functionalized polystyrenes: polymeric pre-catalysts for the metal-free borylation of heteroarenes.
• Authors of publication: Bouchard, Nicolas; Fontaine, Frédéric-Georges
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 4846 - 4856
• a: 13.504 ± 0.003 Å
• b: 10.4434 ± 0.0019 Å
• c: 7.9038 ± 0.0015 Å
• α: 90°
• β: 104.354 ± 0.003°
• γ: 90°
• Cell volume: 1079.9 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No