Information card for entry 7122528

Structure parameters

• Chemical name: Chloro[(4S)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-5,5-dimethyl-4-(1-methylethyl)-oxazole]gold(I)
• Formula: C52 H54 Au2 Cl2 N2 O2 P2
• Calculated formula: C52 H56 Au2 Cl2 N2 O2 P2
• Title of publication: Mechanistic and asymmetric investigations of the Au-catalysed cross-coupling between aryldiazonium salts and arylboronic acids using (P,N) gold complexes.
• Authors of publication: Tabey, Alexis; Berlande, Murielle; Hermange, Philippe; Fouquet, Eric
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 91
• Pages of publication: 12867 - 12870
• a: 11.0336 ± 0.0006 Å
• b: 14.8166 ± 0.0008 Å
• c: 15.2675 ± 0.0008 Å
• α: 90°
• β: 96.44 ± 0.001°
• γ: 90°
• Cell volume: 2480.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No