Information card for entry 4131327

Structure parameters

• Common name: tes_017
• Chemical name: tes_017
• Formula: C43 H35 Br I O P2 Rh
• Calculated formula: C43 H35 Br I O P2 Rh
• Title of publication: Direct Formation of Carbon(sp³)-Heteroatom Bonds from Rh^III To Produce Methyl Iodide, Thioethers, and Alkylamines.
• Authors of publication: Stevens, Tyler E.; Smoll, Karena A.; Goldberg, Karen I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 23
• Pages of publication: 7725 - 7728
• a: 12.6322 ± 0.001 Å
• b: 14.7078 ± 0.0014 Å
• c: 19.7418 ± 0.0018 Å
• α: 90°
• β: 94.445 ± 0.004°
• γ: 90°
• Cell volume: 3656.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No