Information card for entry 7133723

Structure parameters

• Formula: C13 H27 B N2 O2
• Calculated formula: C13 H27 B N2 O2
• Title of publication: Zinc catalyzed chemoselective hydrofunctionalization of cyanamides.
• Authors of publication: Rajput, Sagrika; Sahoo, Rajata Kumar; M T, Nithya; Nembenna, Sharanappa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 79
• Pages of publication: 11148 - 11151
• a: 6.11292 ± 0.00018 Å
• b: 19.9526 ± 0.0006 Å
• c: 12.9873 ± 0.0004 Å
• α: 90°
• β: 100.667 ± 0.003°
• γ: 90°
• Cell volume: 1556.67 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0771
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No