Information card for entry 1534130

Structure parameters

• Formula: C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2
• Calculated formula: C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2
• Title of publication: A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols
• Authors of publication: Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 358
• a: 13.668 ± 0.006 Å
• b: 15.095 ± 0.006 Å
• c: 19.109 ± 0.008 Å
• α: 79.735 ± 0.004°
• β: 89.183 ± 0.004°
• γ: 63.926 ± 0.004°
• Cell volume: 3475 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No