Information card for entry 7129165

Structure parameters

• Formula: C33 H43 B F3 N3 O4 S
• Calculated formula: C33 H43 B F3 N3 O4 S
• Title of publication: Carbon Monoxide Bond Cleavage Mediated by an Intramolecular Frustrated Lewis Pair: Access to New B/N Heterocycles via Selective Incorporation of Single Carbon Atoms
• Authors of publication: Krempner, Clemens; Manankandayalage, Chamila; Unruh, Daniel K.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 10.5533 ± 0.0003 Å
• b: 11.0017 ± 0.0002 Å
• c: 13.6961 ± 0.0004 Å
• α: 87.344 ± 0.002°
• β: 86.74 ± 0.002°
• γ: 80.246 ± 0.002°
• Cell volume: 1563.56 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.238
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No