Information card for entry 1502093

Structure parameters

• Formula: C20 H23 N O2
• Calculated formula: C20 H23 N O2
• SMILES: C1CCCCC21c1ccccc1C(c1ccc(C)cc1)(N)OO2
• Title of publication: Copper-catalyzed benzylic C-H oxygenation under an oxygen atmosphere via N-H imines as an intramolecular directing group.
• Authors of publication: Zhang, Line; Ang, Gim Yean; Chiba, Shunsuke
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1622 - 1625
• a: 8.1184 ± 0.0005 Å
• b: 10.0564 ± 0.0006 Å
• c: 10.6131 ± 0.0006 Å
• α: 102.882 ± 0.002°
• β: 95.326 ± 0.002°
• γ: 100.637 ± 0.002°
• Cell volume: 821.99 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No