Information card for entry 4123206

Structure parameters

• Formula: C34 H22 F21 N O7 P Rh S
• Calculated formula: C34 H22 F21 N O7 P Rh S
• 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: 9.8425 ± 0.0002 Å
• b: 11.6612 ± 0.0002 Å
• c: 18.2368 ± 0.0004 Å
• α: 89.224 ± 0.001°
• β: 85.156 ± 0.001°
• γ: 76.978 ± 0.001°
• Cell volume: 2031.99 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No