Information card for entry 1568736

Structure parameters

• Formula: C38 H44 B Cl Si
• Calculated formula: C38 H44 B Cl Si
• SMILES: [Si](Cl)(/C=C(\B1c2c(ccc(c2)C(C)(C)C)c2c1cc(cc2)C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.
• Authors of publication: Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4589 - 4596
• a: 9.6488 ± 0.0004 Å
• b: 12.5511 ± 0.0005 Å
• c: 27.859 ± 0.001 Å
• α: 90°
• β: 96.072 ± 0.004°
• γ: 90°
• Cell volume: 3354.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No