Information card for entry 4125984

Structure parameters

• Formula: C18 H22 N O2 Rh
• Calculated formula: C18 H22 N O2 Rh
• SMILES: [Rh]12345(N(Oc6c1cccc6)C(=O)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Cp*Rh(III)/Bicyclic Olefin Cocatalyzed C-H Bond Amidation by Intramolecular Amide Transfer.
• Authors of publication: Wang, Xiaoming; Gensch, Tobias; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 18
• Pages of publication: 6506 - 6512
• a: 12.492 ± 0.0006 Å
• b: 8.763 ± 0.0004 Å
• c: 15.2416 ± 0.0006 Å
• α: 90°
• β: 103.801 ± 0.002°
• γ: 90°
• Cell volume: 1620.29 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No