Information card for entry 7126403

Structure parameters

• Formula: C48 H58 Au N3
• Calculated formula: C48 H58 Au N3
• SMILES: [Au](C#Cc1ccccc1/C=N/c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)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: 10.797 ± 0.0012 Å
• b: 16.6498 ± 0.0018 Å
• c: 24.697 ± 0.003 Å
• α: 90°
• β: 95.768 ± 0.004°
• γ: 90°
• Cell volume: 4417.2 ± 0.9 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301.47 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No