Information card for entry 4124339

Structure parameters

• Formula: C26 H52 B2 O7
• Calculated formula: C26 H52 B2 O7
• SMILES: O[C@H]1C(C[C@@H](B2OC(C(O2)(C)C)(C)C)[C@@H](B2OC(C(O2)(C)C)(C)C)C1)(C)C.OC(C)(C(O)(C)C)C.O[C@@H]1C(C[C@H](B2OC(C(O2)(C)C)(C)C)[C@H](B2OC(C(O2)(C)C)(C)C)C1)(C)C.OC(C)(C(O)(C)C)C
• Title of publication: Hydroxyl-Directed Cross-Coupling: A Scalable Synthesis of Debromohamigeran E and Other Targets of Interest.
• Authors of publication: Blaisdell, Thomas P.; Morken, James P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 27
• Pages of publication: 8712 - 8715
• a: 10.8734 ± 0.0006 Å
• b: 12.5634 ± 0.0007 Å
• c: 21.8982 ± 0.0012 Å
• α: 90°
• β: 96.059 ± 0.004°
• γ: 90°
• Cell volume: 2974.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No