Information card for entry 4346318

Structure parameters

• Formula: C20.5 H37 Cl Cu F6 N2 O2 Sb
• Calculated formula: C20.5 H37 Cl Cu F6 N2 O2 Sb
• Title of publication: A Biomimetic Mechanism for the Copper-Catalyzed Aerobic Oxygenation of 4-tert-Butylphenol.
• Authors of publication: Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip; Ottenwaelder, Xavier
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8665 - 8672
• a: 14.6057 ± 0.0007 Å
• b: 12.7363 ± 0.0005 Å
• c: 17.9897 ± 0.0009 Å
• α: 90°
• β: 124.907 ± 0.003°
• γ: 90°
• Cell volume: 2744.4 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No