Information card for entry 4123199

Structure parameters

• Formula: C20 H32 Cl6 N4 O6 Rh2
• Calculated formula: C20 H32 Cl6 N4 O6 Rh2
• SMILES: C(#[O])[Rh]123([C@H](CCC1=O)N(C(N(C)C)=[O]2)C)[Cl][Rh]12(C#[O])([C@@H](CCC1=O)N(C(N(C)C)=[O]2)C)[Cl]3.C(Cl)Cl.C(Cl)Cl
• Title of publication: Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.
• Authors of publication: Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 1
• Pages of publication: 463 - 468
• a: 8.708 ± 0.0003 Å
• b: 9.9715 ± 0.0003 Å
• c: 10.5466 ± 0.0003 Å
• α: 66.505 ± 0.002°
• β: 89.64 ± 0.002°
• γ: 71.054 ± 0.002°
• Cell volume: 786.31 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No