Information card for entry 1567496

Structure parameters

• Formula: C33 H33 B F6 N2
• Calculated formula: C33 H33 B F6 N2
• Title of publication: Generation of Boryl-nitroxide Radicals from a Boraalkene via the Nitroso Ene Reaction
• Authors of publication: Chen, Chaohuang; Daniliuc, Constantin Gabriel; Klabunde, Sina; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 10.2547 ± 0.0002 Å
• b: 17.4775 ± 0.0004 Å
• c: 16.6351 ± 0.0004 Å
• α: 90°
• β: 98.497 ± 0.001°
• γ: 90°
• Cell volume: 2948.73 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0515
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: single crystal
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No