Information card for entry 4518041

Structure parameters

• Formula: C18 H22 B N2 O3 S Si
• Calculated formula: C18 H22 B N2 O3 S Si
• Title of publication: Boron Recycling in the Metal-Free Transfer C‒H Borylation of Terminal Alkynes and Heteroarenes
• Authors of publication: Desrosiers, Vincent; Garcia, Cecilia Zavaleta; Fontaine, Frédéric-Georges
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 11046
• a: 8.5976 ± 0.0004 Å
• b: 9.2734 ± 0.0005 Å
• c: 12.5694 ± 0.0006 Å
• α: 104.461 ± 0.002°
• β: 99.599 ± 0.002°
• γ: 96.061 ± 0.002°
• Cell volume: 945.36 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No