Information card for entry 1549339

Structure parameters

• Formula: C24 H27 B O4
• Calculated formula: C24 H27 B O4
• SMILES: B1(C[C@@](c2cc3ccccc3o2)(C)C(=O)c2ccccc2)OC(C(C)(C)O1)(C)C
• Title of publication: Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds.
• Authors of publication: Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 4992 - 4998
• a: 12.5495 ± 0.0006 Å
• b: 6.3424 ± 0.0003 Å
• c: 13.2506 ± 0.0006 Å
• α: 90°
• β: 92.671 ± 0.002°
• γ: 90°
• Cell volume: 1053.52 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No