Information card for entry 7122766

Structure parameters

• Formula: C18 H27 B O2
• Calculated formula: C18 H27 B O2
• Title of publication: AgSbF6-Catalyzed anti-Markovnikov Hydroboration of Terminal Alkynes
• Authors of publication: Mamidala, Ramesh; Pandey, Vipin Kumar; RIT, ARNAB
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 9.4277 ± 0.0007 Å
• b: 16.8208 ± 0.0017 Å
• c: 33.332 ± 0.003 Å
• α: 90°
• β: 95.868 ± 0.003°
• γ: 90°
• Cell volume: 5258.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1746
• Residual factor for significantly intense reflections: 0.1203
• Weighted residual factors for significantly intense reflections: 0.3141
• Weighted residual factors for all reflections included in the refinement: 0.3471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No