Information card for entry 1574013

Structure parameters

• Formula: C45 H74 B Li2 N O4 Se
• Calculated formula: C45 H74 B Li2 N O4 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: 10.7762 ± 0.0002 Å
• b: 16.8779 ± 0.0003 Å
• c: 24.5726 ± 0.0003 Å
• α: 81.439 ± 0.001°
• β: 86.226 ± 0.001°
• γ: 88.794 ± 0.001°
• Cell volume: 4409.59 ± 0.13 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: 0.0703
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• 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