Information card for entry 1574018

Structure parameters

• Formula: C70 H108 B2 Li4 N2 O3 S2
• Calculated formula: C70 H108 B2 Li4 N2 O3 S2
• 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: 10.6514 ± 0.0001 Å
• b: 21.0348 ± 0.0002 Å
• c: 16.8392 ± 0.0002 Å
• α: 90°
• β: 106.025 ± 0.001°
• γ: 90°
• Cell volume: 3626.22 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• 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