Information card for entry 4125404

Structure parameters

• Chemical name: [MeO2NN]CuOtBu
• Formula: C33 H52 Cu N2 O7
• Calculated formula: C33 H52 Cu N2 O7
• Title of publication: Copper Catalyzed sp(3) C-H Etherification with Acyl Protected Phenols.
• Authors of publication: Salvador, Tolani K.; Arnett, Charles H.; Kundu, Subrata; Sapiezynski, Nicholas G.; Bertke, Jeffery A.; Raghibi Boroujeni, Mahdi; Warren, Timothy H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 51
• Pages of publication: 16580 - 16583
• a: 13.8733 ± 0.0005 Å
• b: 19.3641 ± 0.0007 Å
• c: 26.6621 ± 0.0009 Å
• α: 90°
• β: 90.73 ± 0.002°
• γ: 90°
• Cell volume: 7162 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No