Information card for entry 4069400

Structure parameters

• Formula: C13 H13 Br Cl N Si
• Calculated formula: C12.9471 H13 Br Cl N 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: 6.2696 ± 0.0013 Å
• b: 9.6147 ± 0.0019 Å
• c: 12.194 ± 0.002 Å
• α: 95.37 ± 0.03°
• β: 100.82 ± 0.03°
• γ: 98.07 ± 0.03°
• Cell volume: 709.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0659
• 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: Yes
• Has Fobs: No