Information card for entry 1576635

Structure parameters

• Formula: C65 H99 B2 Cl N3
• Calculated formula: C65 H99 B2 Cl N3
• 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 D.; Braunschweig, Holger
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 8189 - 8196
• a: 17.7397 ± 0.0002 Å
• b: 19.4055 ± 0.0002 Å
• c: 34.7313 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11956.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• 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