Information card for entry 4123832

Structure parameters

• Common name: AMS2069
• Chemical name: AMS2069_0m
• Formula: C61 H82 Cu2 F4 N4 O3 S
• Calculated formula: C61 H82 Cu2 F4 N4 O3 S
• Title of publication: Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.
• Authors of publication: Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 24
• Pages of publication: 7747 - 7753
• a: 10.375 ± 0.0005 Å
• b: 17.0501 ± 0.0009 Å
• c: 17.5973 ± 0.0008 Å
• α: 80.046 ± 0.003°
• β: 86.037 ± 0.003°
• γ: 79.985 ± 0.003°
• Cell volume: 3016.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0793
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No