Information card for entry 7717213

Structure parameters

• Formula: C14 H20 B N O3
• Calculated formula: C14 H20 B N O3
• Title of publication: Low-Valent Germanium and Tin Hydrides as Catalysts for Hydroboration, Hydrodeoxygenation (HDO), and Hydrodesulfurization (HDS) of Heterocumulenes
• Authors of publication: Mukhopadhyay, Sayantan; Sahoo, Rajata Kumar; Patro, A. Ganesh; Khuntia, Anwesh Prasad; Nembenna, Sharanappa
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 13.0059 ± 0.0007 Å
• b: 7.2872 ± 0.0004 Å
• c: 16.3747 ± 0.0009 Å
• α: 90°
• β: 108.259 ± 0.006°
• γ: 90°
• Cell volume: 1473.8 ± 0.15 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: 0.0705
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0404
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No