Information card for entry 7126407

Structure parameters

• Formula: C46 H42 Au F3 N O3 P S
• Calculated formula: C46 H42 Au F3 N O3 P S
• Title of publication: Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.
• Authors of publication: Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 46
• Pages of publication: 6213 - 6216
• a: 14.4529 ± 0.0003 Å
• b: 13.4595 ± 0.0003 Å
• c: 21.5529 ± 0.0006 Å
• α: 90°
• β: 93.956 ± 0.001°
• γ: 90°
• Cell volume: 4182.67 ± 0.17 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• 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: 0.0373
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No