Information card for entry 1567081

Structure parameters

• Formula: C20 H36 B I N4 O2
• Calculated formula: C20 H36 B I N4 O2
• Title of publication: NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions.
• Authors of publication: Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 28
• Pages of publication: 8321 - 8333
• a: 13.3858 ± 0.0002 Å
• b: 14.2988 ± 0.0002 Å
• c: 13.1709 ± 0.0002 Å
• α: 90°
• β: 109.65 ± 0.002°
• γ: 90°
• Cell volume: 2374.11 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.97 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No