Information card for entry 1507894

Structure parameters

• Formula: C32 H44 Cu2 O10
• Calculated formula: C32 H44 Cu2 O10
• SMILES: [Cu]1234([Cu]56([O]=C(O3)C(C)(C)Cc3cccc(c3)CC(C)(C)C(O5)=[O]4)([O]=C(O1)C(C)(C)Cc1cccc(c1)CC(C)(C)C(=[O]2)O6)[OH2])[OH2]
• Title of publication: Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.
• Authors of publication: Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3550 - 3553
• a: 6.9473 ± 0.0008 Å
• b: 18.846 ± 0.002 Å
• c: 12.6117 ± 0.0013 Å
• α: 90°
• β: 96.521 ± 0.003°
• γ: 90°
• Cell volume: 1640.6 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• 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: 0.1003
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No