Information card for entry 1576634

Structure parameters

• Formula: C35 H55 B N2
• Calculated formula: C35 H55 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: 16.9366 ± 0.0003 Å
• b: 9.8374 ± 0.0002 Å
• c: 19.1534 ± 0.0003 Å
• α: 90°
• β: 100.259 ± 0.002°
• γ: 90°
• Cell volume: 3140.17 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• 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: No
• Has Fobs: No