Information card for entry 1568737

Structure parameters

• Formula: C54 H77 B O3 Si
• Calculated formula: C54 H77 B O3 Si
• SMILES: [SiH]1(CC[B]2([O]3CCCC3)c3c(ccc(c3)C(C)(C)C)c3c2cc(cc3)C(C)(C)C)c2c(ccc(c2)C(C)(C)C)c2c1cc(cc2)C(C)(C)C.O1CCCC1.O1CCCC1
• 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: 17.8 ± 0.0007 Å
• b: 14.6788 ± 0.0005 Å
• c: 19.2967 ± 0.0007 Å
• α: 90°
• β: 96.263 ± 0.003°
• γ: 90°
• Cell volume: 5011.8 ± 0.3 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: 0.1217
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No