Information card for entry 1567334

Structure parameters

• Formula: C46 H55 Au Cl N5 O
• Calculated formula: C46 H55 Au Cl N5 O
• Title of publication: Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids
• Authors of publication: Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 32
• Pages of publication: 9351 - 9360
• a: 12.25 ± 0.02 Å
• b: 15.5 ± 0.02 Å
• c: 23.22 ± 0.04 Å
• α: 89.58 ± 0.03°
• β: 84.7 ± 0.04°
• γ: 85.16 ± 0.04°
• Cell volume: 4374 ± 12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No