Information card for entry 4084719

Structure parameters

• Formula: C45 H34 B F5 O
• Calculated formula: C45 H34 B F5 O
• Title of publication: Chemoselective Tin‒Boron Exchange Aided by the Use of Dummy Ligands at the Tin Atom
• Authors of publication: Hermeke, Julia; Mewald, Marius; Irran, Elisabeth; Oestreich, Martin
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5097
• a: 14.4431 ± 0.0007 Å
• b: 9.1854 ± 0.0005 Å
• c: 14.5944 ± 0.0007 Å
• α: 90°
• β: 92.797 ± 0.005°
• γ: 90°
• Cell volume: 1933.87 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No