Information card for entry 4131328

Structure parameters

• Common name: tes_018
• Chemical name: tes_018
• Formula: C42 H37 I O3 P2 Rh
• Calculated formula: C42 H37 I O3 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: 13.8558 ± 0.0008 Å
• b: 16.7013 ± 0.0009 Å
• c: 15.9056 ± 0.0009 Å
• α: 90°
• β: 98.532 ± 0.003°
• γ: 90°
• Cell volume: 3640 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No