Information card for entry 4518186

Structure parameters

• Formula: C80 H64 Cl2 Cu2 F24 O3 P4
• Calculated formula: C80 H64 Cl2 Cu2 F24 O3 P4
• Title of publication: Multifaceted Substrate‒Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds
• Authors of publication: Kang, Taeho; Erbay, Tuğçe G.; Xu, Kane L.; Gallego, Gary M.; Burtea, Alexander; Nair, Sajiv K.; Patman, Ryan L.; Zhou, Ru; Sutton, Scott C.; McAlpine, Indrawan J.; Liu, Peng; Engle, Keary M.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 13075 - 13083
• a: 16.4338 ± 0.0008 Å
• b: 16.5229 ± 0.0008 Å
• c: 17.2231 ± 0.0008 Å
• α: 69.906 ± 0.001°
• β: 77.081 ± 0.001°
• γ: 64.824 ± 0.001°
• Cell volume: 3958.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0751
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No