Information card for entry 1569052

Structure parameters

• Formula: C21 H55 B Li N3 Si3
• Calculated formula: C21 H55 B Li N3 Si3
• Title of publication: Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH₂SiMe₃)₃: unlocking polybasic behaviour and competing lateral borane sodiation.
• Authors of publication: Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6538 - 6545
• a: 10.09239 ± 0.00018 Å
• b: 17.0772 ± 0.0003 Å
• c: 18.2578 ± 0.0003 Å
• α: 90°
• β: 95.549 ± 0.0017°
• γ: 90°
• Cell volume: 3131.98 ± 0.09 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No