Information card for entry 1552972

Structure parameters

• Formula: C17 H21 B Br O P
• Calculated formula: C17 H21 B Br O P
• 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: 6.4951 ± 0.0015 Å
• b: 9.549 ± 0.002 Å
• c: 15.501 ± 0.004 Å
• α: 81.333 ± 0.005°
• β: 86.707 ± 0.005°
• γ: 74.351 ± 0.005°
• Cell volume: 915 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No