Information card for entry 4069398

Structure parameters

• Formula: C13 H15 B Cl N O2 Si
• Calculated formula: C13 H15 B Cl N O2 Si
• SMILES: B(c1ccc(cc1)[Si](C)(C)c1cnc(cc1)Cl)(O)O
• 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: 20.5093 ± 0.0008 Å
• b: 15.6888 ± 0.0006 Å
• c: 9.7982 ± 0.0004 Å
• α: 90°
• β: 105.419 ± 0.002°
• γ: 90°
• Cell volume: 3039.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No