Information card for entry 4125983

Structure parameters

• Formula: C17 H24 N2 O6
• Calculated formula: C17 H24 N2 O6
• 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: 13.7749 ± 0.0014 Å
• b: 21.091 ± 0.002 Å
• c: 7.3456 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2134.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No