Information card for entry 4113216

Structure parameters

• Formula: C38 H52 O10 Rh2
• Calculated formula: C38 H52 O10 Rh2
• SMILES: [O]([Rh]1234[O]=C5C(C)(C)Cc6cccc(c6)CC(C)(C)C(O1)=[O][Rh]14([O]=C(C(C)(C)Cc4cccc(c4)CC(C)(C)C(O1)=[O]3)O2)(O5)[O]=C(C)C)=C(C)C
• Title of publication: Expanding the Scope of C-H Amination through Catalyst Design
• Authors of publication: Christine G. Espino; Kristin Williams Fiori; Mihyong Kim; J. Du Bois
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15378 - 15379
• a: 9.731 ± 0.004 Å
• b: 9.878 ± 0.004 Å
• c: 11.256 ± 0.005 Å
• α: 66.441 ± 0.006°
• β: 84.297 ± 0.007°
• γ: 73.066 ± 0.007°
• Cell volume: 948.6 ± 0.7 ų
• Cell temperature: 159 K
• Ambient diffraction temperature: 159 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: 0.0375
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No