Information card for entry 7045595

Structure parameters

• Formula: C32 H38 B2 F4 O4 Si4
• Calculated formula: C32 H38 B2 F4 O4 Si4
• SMILES: c12c(c(F)ccc1)[Si](C)(C)[OH][B]12c3c(c(ccc3)F)[Si](O1)(C)C
• Title of publication: An intramolecular ortho-assisted activation of the silicon-hydrogen bond in arylsilanes: an experimental and theoretical study.
• Authors of publication: Durka, Krzysztof; Urban, Mateusz; Czub, Maja; Dąbrowski, Marek; Tomaszewski, Patryk; Luliński, Sergiusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3705 - 3716
• a: 20.3719 ± 0.0004 Å
• b: 8.543 ± 0.0002 Å
• c: 20.6238 ± 0.0005 Å
• α: 90°
• β: 90.992 ± 0.002°
• γ: 90°
• Cell volume: 3588.77 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No