Information card for entry 7132636

Structure parameters

• Formula: C54 H72 B2 N4 Si
• Calculated formula: C54 H72 B2 N4 Si
• SMILES: [Si](C)([B]([BH]=C1N(CCN1c1c(cccc1CC)CC)c1c(CC)cccc1CC)=C1N(CCN1c1c(cccc1CC)CC)c1c(cccc1CC)CC)(C)c1ccccc1
• Title of publication: Hydrosilylation of BB triple bonds: catalyst- and reductant-free construction of B-Si bonds and B₂Si heterocycles.
• Authors of publication: Brückner, Tobias; Duwe, Dario; Fantuzzi, Felipe; Heß, Merlin; Dewhurst, Rian D.; Radacki, Krzysztof; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 24
• Pages of publication: 3259 - 3262
• a: 12.4737 ± 0.0003 Å
• b: 14.971 ± 0.0004 Å
• c: 26.1547 ± 0.0007 Å
• α: 90°
• β: 92.786 ± 0.001°
• γ: 90°
• Cell volume: 4878.5 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No