Information card for entry 7107623

Structure parameters

• Formula: C26 H36 B2 O6
• Calculated formula: C26 H36 B2 O6
• SMILES: B1(OC(C)(C)C(C)(C)O1)O[C@H](c1ccccc1)[C@H](c1ccccc1)OB1OC(C)(C)C(C)(C)O1
• Title of publication: Magnesium-catalysed hydroboration of aldehydes and ketones
• Authors of publication: Merle Arrowsmith; Terrance J. Hadlington; Michael S. Hill; Gabriele Kociok-Kohn
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4567
• a: 8.2719 ± 0.0002 Å
• b: 9.9302 ± 0.0002 Å
• c: 15.8441 ± 0.0003 Å
• α: 90°
• β: 102.83 ± 0.001°
• γ: 90°
• Cell volume: 1268.97 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No