Information card for entry 1554390

Structure parameters

• Formula: C18 H36 B2 O6
• Calculated formula: C18 H36 B2 O6
• SMILES: B1(OC(C)(C)C(C)(O1)C)OC(C)(C)C(C)(C)OB1OC(C)(C)C(C)(C)O1
• Title of publication: Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
• Authors of publication: Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 24
• Pages of publication: 3538
• a: 10.58 ± 0.0007 Å
• b: 10.4047 ± 0.0007 Å
• c: 10.785 ± 0.0007 Å
• α: 90°
• β: 118.687 ± 0.002°
• γ: 90°
• Cell volume: 1041.5 ± 0.12 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No