Information card for entry 4069397

Structure parameters

• Formula: C14.5 H18 B F N O2.5 Si
• Calculated formula: C14.5 H18 B F N O2.5 Si
• Title of publication: 4-((2-Halogeno-5-pyridyl)dimethylsilyl)phenylboronic Acids: New Potential Building Blocks for the Synthesis of Silicon-Containing Drugs
• Authors of publication: Troegel, Dennis; Möller, Frank; Burschka, Christian; Tacke, Reinhold
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 3218
• a: 6.6964 ± 0.001 Å
• b: 22.19 ± 0.003 Å
• c: 11.1528 ± 0.0017 Å
• α: 90°
• β: 97.817 ± 0.018°
• γ: 90°
• Cell volume: 1641.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1274
• 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