Information card for entry 1547571

Structure parameters

• Formula: C32 H50 Cu N4 O10
• Calculated formula: C32 H50 Cu N4 O10
• Title of publication: Copper- or Nickel-Enabled Oxidative Cross-Coupling of Unreactive C(sp(3))-H Bonds with Azole C(sp(2))-H Bonds: Rapid Access to β-Azolyl Propanoic Acid Derivatives.
• Authors of publication: Tan, Guangying; Zhang, Luoqiang; Liao, Xingrong; Shi, Yang; Wu, Yimin; Yang, Yudong; You, Jingsong
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4830 - 4833
• a: 10.8093 ± 0.0007 Å
• b: 12.3197 ± 0.0011 Å
• c: 14.2754 ± 0.0008 Å
• α: 88.759 ± 0.006°
• β: 86.694 ± 0.005°
• γ: 66.762 ± 0.007°
• Cell volume: 1743.9 ± 0.2 ų
• Cell temperature: 119.97 ± 0.18 K
• Ambient diffraction temperature: 119.97 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2801
• Weighted residual factors for all reflections included in the refinement: 0.2911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No