Information card for entry 7126404

Structure parameters

• Formula: C34 H34 Cl2 I N
• Calculated formula: C34 H34 Cl2 I N
• SMILES: [I-].ClCCl.[n+]1(c(c(c2c(cccc2)c1)c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• 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: 18.2744 ± 0.0015 Å
• b: 10.4465 ± 0.0007 Å
• c: 17.007 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3246.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No