Information card for entry 7124592

Structure parameters

• Formula: C15 H24 B N O2
• Calculated formula: C15 H24 B N O2
• Title of publication: Bench-stable frustrated Lewis pair chemistry: fluoroborate salts as precatalysts for the C-H borylation of heteroarenes.
• Authors of publication: Légaré, Marc-André; Rochette, Étienne; Légaré Lavergne, Julien; Bouchard, Nicolas; Fontaine, Frédéric-Georges
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 31
• Pages of publication: 5387 - 5390
• a: 13.8539 ± 0.0009 Å
• b: 7.816 ± 0.0005 Å
• c: 15.243 ± 0.001 Å
• α: 90°
• β: 115.863 ± 0.001°
• γ: 90°
• Cell volume: 1485.22 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No