Information card for entry 4108692

Structure parameters

• Formula: C18 H35 B O3
• Calculated formula: C18 H35 B O3
• SMILES: CC(C(=O)[C@H]([C@H]([C@@H](CCC)B1OC(C(C)(C)O1)(C)C)C)C)C.CC(C(=O)[C@@H]([C@@H]([C@H](CCC)B1OC(C(C)(C)O1)(C)C)C)C)C
• Title of publication: Diastereoselective Addition of Zincated Hydrazones to Alkenylboronates and Stereospecific Trapping of Boron/Zinc Bimetallic Intermediates by Carbon Electrophiles
• Authors of publication: Takuji Hatakeyama; Masaharu Nakamura; Eiichi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15688 - 15701
• a: 9.725 ± 0.005 Å
• b: 10.608 ± 0.005 Å
• c: 11.225 ± 0.005 Å
• α: 79.6 ± 0.005°
• β: 67.79 ± 0.005°
• γ: 71.001 ± 0.005°
• Cell volume: 1011.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2049
• Residual factor for significantly intense reflections: 0.1816
• Weighted residual factors for significantly intense reflections: 0.441
• Weighted residual factors for all reflections included in the refinement: 0.5057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.816
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No