Information card for entry 4073848

Structure parameters

• Formula: C18 H39 B N2 O
• Calculated formula: C18 H39 B N2 O
• SMILES: O(B(N(C(C)C)C(C)C)N(C(C)C)C(C)C)C(=C)C(C)(C)C
• Title of publication: Synthesis and Structural Characterization of the Bis(diisopropylamino)boron Enolate oftert-Butyl Methyl Ketone
• Authors of publication: Ma, Lili; Hopson, Russell; Li, Deyu; Zhang, Yong; Williard, Paul G.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5834
• a: 9.753 ± 0.005 Å
• b: 18.161 ± 0.009 Å
• c: 12.285 ± 0.006 Å
• α: 90°
• β: 110.016 ± 0.017°
• γ: 90°
• Cell volume: 2044.5 ± 1.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No