Information card for entry 4110180

Structure parameters

• Common name: [(L-mOMe)Cu(BF)]
• Formula: C34 H35 Cu N2 O4
• Calculated formula: C34 H35 Cu N2 O4
• SMILES: [Cu]1([N](c2c(cccc2C(C)C)C(C)C)=C(c2[n]1c(ccc2)c1cccc(OC)c1)C)OC(=O)C(=O)c1ccccc1
• Title of publication: Copper(I)-α-Ketocarboxylate Complexes: Characterization and O2 Reactions That Yield Copper-Oxygen Intermediates Capable of Hydroxylating Arenes
• Authors of publication: Sungjun Hong; Stefan M. Huber; Laura Gagliardi; Christopher C. Cramer; William B. Tolman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14190 - 14192
• a: 10.1018 ± 0.0011 Å
• b: 11.7821 ± 0.0013 Å
• c: 12.884 ± 0.0014 Å
• α: 86.043 ± 0.002°
• β: 73.753 ± 0.002°
• γ: 88.886 ± 0.002°
• Cell volume: 1468.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0644
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No