Information card for entry 4129275

Structure parameters

• Formula: C48 H39 Cu2 F6 N6 O10.5 S2
• Calculated formula: C48 H38 Cu2 F6 N6 O10.5 S2
• Title of publication: Copper-catalyzed enantioselective propargylic etherification of propargylic esters with alcohols.
• Authors of publication: Nakajima, Kazunari; Shibata, Masashi; Nishibayashi, Yoshiaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 7
• Pages of publication: 2472 - 2475
• a: 15.7607 ± 0.0008 Å
• b: 16.9627 ± 0.0009 Å
• c: 18.2945 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4890.9 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No