Information card for entry 7228815

Structure parameters

• Formula: C18 H36 B Na O5
• Calculated formula: C18 H36 B Na O5
• SMILES: [Na]12345([O]6CC[O]2CC[O]4CC[O]1CC[O]3CC6)[H]B1([H]5)C2CCCC1CCC2
• Title of publication: Catalytic Hydroboration of Aldehydes, Ketones, Alkynes and Alkenes Initiated by NaOH
• Authors of publication: Wu, Yile; Shan, Changkai; Ying, Jianxi; Su, Jue; Zhu, Jun; Liu, Liu Leo; Zhao, Yufen
• Journal of publication: Green Chem.
• Year of publication: 2017
• a: 7.5751 ± 0.0005 Å
• b: 10.0045 ± 0.0007 Å
• c: 13.9038 ± 0.0009 Å
• α: 93.5 ± 0.006°
• β: 90.41 ± 0.005°
• γ: 104.176 ± 0.006°
• Cell volume: 1019.44 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No