Information card for entry 7115531

Structure parameters

• Common name: ALI-40-A
• Formula: C25 H33 B O7
• Calculated formula: C25 H33 B O7
• SMILES: B1(C(=C2/CC(CC2C=C)(C(=O)OC)C(=O)OC)/c2ccc(cc2)OC)OC(C(C)(C)O1)(C)C
• Title of publication: Ligand-controlled divergent formation of alkenyl- or allylboronates catalyzed by Pd, and synthetic applications
• Authors of publication: Alicia Martos-Redruejo; Ruth Lopez-Duran; Elena Bunuel; Diego J. Cardenas
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10094
• a: 9.5236 ± 0.0005 Å
• b: 11.7389 ± 0.0008 Å
• c: 12.5461 ± 0.0008 Å
• α: 62.68 ± 0.003°
• β: 84.635 ± 0.003°
• γ: 81.559 ± 0.003°
• Cell volume: 1232.12 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No