Information card for entry 1567330

Structure parameters

• Formula: C31 H38 Au Cl N4
• Calculated formula: C31 H38 Au Cl N4
• 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: 9.9684 ± 0.0005 Å
• b: 23.6287 ± 0.001 Å
• c: 12.9108 ± 0.0006 Å
• α: 90°
• β: 101.309 ± 0.002°
• γ: 90°
• Cell volume: 2982 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No