Information card for entry 7132637

Structure parameters

• Formula: C52 H68 B2 N4 Si
• Calculated formula: C52 H68 B2 N4 Si
• 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: 22.4231 ± 0.0005 Å
• b: 11.6708 ± 0.0002 Å
• c: 19.4398 ± 0.0005 Å
• α: 90°
• β: 113.005 ± 0.001°
• γ: 90°
• Cell volume: 4682.72 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0891
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No