Information card for entry 1574014

Structure parameters

• Formula: C58 H84 B2 N2 Te2
• Calculated formula: C58 H84 B2 N2 Te2
• SMILES: B(C1C(CC([N+]=1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C)(c1c(cc(cc1C)C)C)[Te][Te]B(C1C(CC(C)(C)[N+]=1c1c(cccc1C(C)C)C(C)C)(C)C)c1c(cc(cc1C)C)C
• 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: 10.1565 ± 0.0001 Å
• b: 10.3469 ± 0.0001 Å
• c: 14.2245 ± 0.0001 Å
• α: 69.78 ± 0.001°
• β: 80.935 ± 0.001°
• γ: 81.899 ± 0.001°
• Cell volume: 1379.14 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• 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