Information card for entry 4108691

Structure parameters

• Formula: C40 H44 O4
• Calculated formula: C40 H44 O4
• SMILES: [C@@H]1([C@H](CCCCC1)[C@@H]([C@H](CC(C)C)OC(=O)c1ccc(cc1)c1ccccc1)C)OC(=O)c1ccc(cc1)c1ccccc1.[C@H]1([C@@H](CCCCC1)[C@H]([C@@H](CC(C)C)OC(=O)c1ccc(cc1)c1ccccc1)C)OC(=O)c1ccc(cc1)c1ccccc1
• 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: 9.744 ± 0.001 Å
• b: 12.409 ± 0.0008 Å
• c: 15.523 ± 0.0015 Å
• α: 91.937 ± 0.005°
• β: 105.989 ± 0.004°
• γ: 107.197 ± 0.005°
• Cell volume: 1710 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2585
• Weighted residual factors for all reflections included in the refinement: 0.283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No