Information card for entry 4108689

Structure parameters

• Formula: C26 H47 B N2 O3
• Calculated formula: C26 H47 B N2 O3
• SMILES: B1(OC(C)(C)C(O1)(C)C)[C@H]([C@H]([C@H](C(=N\N(C)C)\C1CCCCC1)C)C)[C@@H]1CC(=O)CCC1.B1(OC(C)(C)C(O1)(C)C)[C@@H]([C@@H]([C@@H](C(=N\N(C)C)\C1CCCCC1)C)C)[C@H]1CC(=O)CCC1
• 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: 6.891 ± 0.0004 Å
• b: 16.614 ± 0.0012 Å
• c: 24.756 ± 0.0017 Å
• α: 90°
• β: 95.8 ± 0.004°
• γ: 90°
• Cell volume: 2819.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0939
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2186
• Weighted residual factors for all reflections included in the refinement: 0.2461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No