Information card for entry 4125985

Structure parameters

• Formula: C36 H44 N2 O4 Rh2
• Calculated formula: C36 H44 N2 O4 Rh2
• SMILES: c12ccccc1N(C(=O)C)[Rh]13456([O]2[Rh]2789%10(N(c%11c(cccc%11)[O]62)C(=O)C)[c]2([c]7([c]8([c]9([c]%102C)C)C)C)C)[c]2([c]1([c]3([c]4([c]52C)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: 9.9285 ± 0.0005 Å
• b: 14.935 ± 0.0006 Å
• c: 10.6506 ± 0.0005 Å
• α: 90°
• β: 90.57 ± 0.002°
• γ: 90°
• Cell volume: 1579.22 ± 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: 0.0273
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No