Information card for entry 4133413

Structure parameters

• Formula: C35 H31 B O3
• Calculated formula: C35 H31 B O3
• SMILES: O(C)c1ccc(cc1)[C@H]([C@@H](B1O[C@@]2([C@](O1)(c1cccc3cccc2c13)C)C)c1ccccc1)c1ccccc1
• Title of publication: Diastereoselective and Enantioselective Conjunctive Cross-Coupling Enabled by Boron Ligand Design.
• Authors of publication: Myhill, Jesse A.; Wilhelmsen, Christopher A.; Zhang, Liang; Morken, James P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 45
• Pages of publication: 15181 - 15185
• a: 10.1118 ± 0.0003 Å
• b: 11.8308 ± 0.0004 Å
• c: 12.5795 ± 0.0004 Å
• α: 83.377 ± 0.001°
• β: 70.474 ± 0.001°
• γ: 72.023 ± 0.001°
• Cell volume: 1348.98 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No