Information card for entry 1574011

Structure parameters

• Formula: C33 H50 B N O Se
• Calculated formula: C33 H50 B N O Se
• Title of publication: Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.
• Authors of publication: Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 13
• Pages of publication: 5632 - 5639
• a: 14.2386 ± 0.0001 Å
• b: 14.0447 ± 0.0001 Å
• c: 15.3868 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3077 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• 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