Information card for entry 1552974

Structure parameters

• Formula: C24 H28 B O P
• Calculated formula: C24 H28 B O P
• SMILES: [P@]([BH3])([C@@H](CC(=O)c1ccccc1)c1ccccc1)(C(C)C)c1ccccc1
• Title of publication: Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds
• Authors of publication: Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang
• Journal of publication: Org. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 5
• Pages of publication: 541
• a: 10.135 ± 0.007 Å
• b: 13.483 ± 0.009 Å
• c: 15.598 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2131 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No