Information card for entry 7057299

Structure parameters

• Formula: C29.5 H32 Au B Cl O2 P
• Calculated formula: C29.5 H32 Au B Cl O2 P
• Title of publication: Regiospecific and stereoselective synthesis of (E)- and (Z)-2-phosphino-1-alkenyl boronates via Cu-catalyzed hydroboration of alkynylphosphines
• Authors of publication: Song, Liubing; Ma, Xufeng; Xu, Sheng; Shi, Min; Zhang, Jun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 8342
• a: 13.7594 ± 0.0006 Å
• b: 10.0335 ± 0.0004 Å
• c: 20.6008 ± 0.0009 Å
• α: 90°
• β: 91.401 ± 0.001°
• γ: 90°
• Cell volume: 2843.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 172.98 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No