Information card for entry 1576632

Structure parameters

• Formula: C37 H53 B N2
• Calculated formula: C37 H53 B N2
• Title of publication: N–H / P–H bond activation of ammonia, amines and phosphines at a transient borylene
• Authors of publication: Weber, Marco; Kar, Sourav; Joos, Pia; Dewhurst, Rian David; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 9.5838 ± 0.0001 Å
• b: 19.0377 ± 0.0002 Å
• c: 26.7818 ± 0.0004 Å
• α: 88.828 ± 0.001°
• β: 84.835 ± 0.001°
• γ: 87.874 ± 0.001°
• Cell volume: 4862.52 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No