Information card for entry 4129350

Structure parameters

• Formula: C18 H45 B Fe O2 P4
• Calculated formula: C18 H45 B Fe O2 P4
• Title of publication: Iron-catalyzed C-H borylation of arenes.
• Authors of publication: Dombray, Thomas; Werncke, C. Gunnar; Jiang, Shi; Grellier, Mary; Vendier, Laure; Bontemps, Sébastien; Sortais, Jean-Baptiste; Sabo-Etienne, Sylviane; Darcel, Christophe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 12
• Pages of publication: 4062 - 4065
• a: 15.8389 ± 0.0012 Å
• b: 10.474 ± 0.0008 Å
• c: 31.533 ± 0.003 Å
• α: 90°
• β: 101.18 ± 0.002°
• γ: 90°
• Cell volume: 5131.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No