Information card for entry 4123207

Structure parameters

• Formula: C28 H30 Cl2 N2 O8 Rh2
• Calculated formula: C28 H30 Cl2 N2 O8 Rh2
• SMILES: c1(ccccc1)COC1N([C@@H]2CCC(=O)[Rh]32([O]=1)(C#[O])[Cl][Rh]12([C@@H](N(C(=[O]1)OCc1ccccc1)C)CCC2=O)(C#[O])[Cl]3)C
• 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: 9.4832 ± 0.0002 Å
• b: 22.4763 ± 0.0004 Å
• c: 7.2915 ± 0.0001 Å
• α: 90°
• β: 105.178 ± 0.001°
• γ: 90°
• Cell volume: 1499.95 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No