Information card for entry 4038106

Structure parameters

• Formula: C55.5 H79 B Cl2 Cu F4 N5
• Calculated formula: C55.5 H73 B Cl2 Cu F4 N5
• Title of publication: Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts
• Authors of publication: Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.
• Journal of publication: Beilstein Journal of Organic Chemistry
• Year of publication: 2020
• Journal volume: 16
• Pages of publication: 482 - 491
• a: 12.7795 ± 0.0014 Å
• b: 14.5381 ± 0.0015 Å
• c: 16.8715 ± 0.0019 Å
• α: 88.893 ± 0.006°
• β: 76.742 ± 0.005°
• γ: 67.949 ± 0.005°
• Cell volume: 2820.1 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No